Category: 56970-78-6

Kalyavin, V. A. published the artcileOn the rearrangement of radicals formed in the decomposition of β-bromocarboxylic acids, SDS of cas: 56970-78-6, the publication is Vestnik Moskovskogo Universiteta, Seriya 2: Khimiya (1999), 40(6), 384-389, database is CAplus.

Hydrobrominating RCH:CR¹CO₂H (R = Me, Ph, R¹ = H; R = H, R¹ = Me) with HBr in AcOOH gave 57-83% yields of the corresponding RCHBrCHR¹CO₂H, which reacted with SOCl₂ to give the acid chlorides and then with H₂O₂ in pyridine to give the corresponding (RCHBrCHR¹CO)₂O₂ (I) in ≤75% yield. I underwent thermolysis at 80° or UV photolysis in C₆H₆ or PhMe to give complex mixtures via rearrangement of the initially formed primary radicals to secondary ones via a 1,2-shift of the Br atom.

Vestnik Moskovskogo Universiteta, Seriya 2: Khimiya published new progress about 56970-78-6. 56970-78-6 belongs to bromides-buliding-blocks, auxiliary class Bromide,Carboxylic acid,Aliphatic hydrocarbon chain,Inhibitor, name is 3-Bromo-2-methylpropanoic acid, and the molecular formula is C4H7BrO2, SDS of cas: 56970-78-6.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Li, Xiao Long published the artcileSynthesis of the Major Metabolites of Febuxostat, Safety of 3-Bromo-2-methylpropanoic acid, the publication is Letters in Organic Chemistry (2015), 12(3), 217-221, database is CAplus.

Total synthesis of three Febuxostat metabolites, named 67M-1, 67M-2, and 67M-4,is described in this article. Through condensation of the key intermediate compound I with different side chains, and then oxidation and hydrolysis, we obtained three target compounds with an overall yield of 19.5%-28.0%.

Letters in Organic Chemistry published new progress about 56970-78-6. 56970-78-6 belongs to bromides-buliding-blocks, auxiliary class Bromide,Carboxylic acid,Aliphatic hydrocarbon chain,Inhibitor, name is 3-Bromo-2-methylpropanoic acid, and the molecular formula is C4H7BrO2, Safety of 3-Bromo-2-methylpropanoic acid.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Hmamouchi, Mohammed published the artcileSynthesis and polymerization of racemic and optically active substituted β-propiolactones. V. α-Methyl-β-propiolactone, Application In Synthesis of 56970-78-6, the publication is Journal of Polymer Science, Part A: Polymer Chemistry (1988), 26(6), 1593-607, database is CAplus.

R(+) And S(-) enantiomers of α-methyl-β-propiolactone (I) were synthesized from the corresponding α-Me β-hydroxymethylpropionates and racemic I from Me methacrylate. The corresponding racemic and optically active polylactones (II) were prepared by anionic polymerization, in bulk and in solution, as well as II of intermediate optical purities. Racemic II was amorphous whereas optically active II was semicrystalline for optical purities >51%. Melting temperatures and enthalpies of fusion of the semicrystalline II varied with optical purity whereas glass transition temperatures remained invariant for all polymers, at about -28°.

Journal of Polymer Science, Part A: Polymer Chemistry published new progress about 56970-78-6. 56970-78-6 belongs to bromides-buliding-blocks, auxiliary class Bromide,Carboxylic acid,Aliphatic hydrocarbon chain,Inhibitor, name is 3-Bromo-2-methylpropanoic acid, and the molecular formula is C4H7BrO2, Application In Synthesis of 56970-78-6.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Stallberg, Gunnel published the artcilePreparation of half-esters of alkylsuccinic acids with a free primary carboxyl group. Synthesis and optical configuration of optically active methyl 2-methyl-3-carboxypropanoate, Name: 3-Bromo-2-methylpropanoic acid, the publication is Acta Chemica Scandinavica (1956), 1360-1, database is CAplus.

The preparation of HO₂CCH₂CHMeCO₂Me (I), m. 42.2-2.8° (petr. ether), n²⁶_D 1.4309, [α]²⁵_D -9.3° (c 17.5, CHCl₃), made difficult by the simultaneous formation of HO₂CCHMeCH₂CO₂Me, is achieved in 60-8% yield by distilling the KMnO₄ oxidation product of CH₂:CHCH₂CHMeCO₂Me, b₇₆₀ 134.5-5.0°, n^22.6_D 1.4158, [α]²²_D 17.0°, without partial racemization (in contrast to the oxidation of optically active CH₂:CHCH₂CHMeCO₂H with H₂CrO₄). Using Hunsdiecker’s procedure (C.A. 37, 3734⁴) I is converted into BrCH₂CHMeCO₂Me, [α]²⁴_D 13.8°, which on hydrolysis with HBr in glacial AcOH gives BrCH₂CHMeCO₂H, [α]²⁷_D 10.1° (c 14.4, CHCl₃).

Acta Chemica Scandinavica published new progress about 56970-78-6. 56970-78-6 belongs to bromides-buliding-blocks, auxiliary class Bromide,Carboxylic acid,Aliphatic hydrocarbon chain,Inhibitor, name is 3-Bromo-2-methylpropanoic acid, and the molecular formula is C4H3Cl2N3, Name: 3-Bromo-2-methylpropanoic acid.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Stallberg, Gunnel published the artcileSynthesis and configuration of enantiometric β-bromoisobutyric acids, Safety of 3-Bromo-2-methylpropanoic acid, the publication is Arkiv foer Kemi (1957), 95-8, database is CAplus.

The enantiomeric β-bromoisobutyric acids could not be obtained by resolution of the inactive compound with brucine. They were, however, prepared by the Hunsdiecker degradation (C.A. 37, 3734⁴) of the enantiomeric half-esters of methyl succinic acid. Thus, to 0.047 mole (-)-Me 2L-methyl-3-carboxypropionate, neutralized with dilute NH₃, was added 0.049 mole aqueous AgNO₃ with cooling and stirring. After 3 hrs. the Ag salt (I) was filtered off, washed with water, MeOH, and Et₂O, and dried 48 hrs. at 90-5°. To 10.7 g. I in dry CCl₄ was added dry Br with cooling and shaking until the color persisted. After standing 6 hrs. at room temperature, the mixture was filtered, the filtrate washed with aqueous NaHCO₃ and water, dried, and fractionated yielding (+)-Me β-bromoisobutyrate (II), b₃₇ 85°, n²⁵_D 1.4532, d₂₅ 1.422, [α]²⁵_D 15.9° [M]²⁵_D 28.8°. II (4.9 g.) was refluxed 24 hrs. with 30 ml. AcOH containing 2 ml. 48% HBr and fractionated yielding (+)-β-bromoisobutyric acid, b_1.5 81.5°, n²⁵_D 1.4748, d₂₅ 1.579, [α]²⁵_D 10.5°, [M]²⁵_D 17.5°. Similarly, (+)-Me 2D-methyl-3-carboxypropionate was converted to (-)-Me β-bromoisobutyrate, b₁₂ 97.5-8.5°, n²⁵_D 1.4533, d₂₅ 1.422, [α]²⁵_D -15.9, and then to (-)-β-bromoisobutyric acid, b₂ 69-70°, n²⁵_D 1.4744, d₂₅ 1.576, [α]²⁵_D-10.5°.

Arkiv foer Kemi published new progress about 56970-78-6. 56970-78-6 belongs to bromides-buliding-blocks, auxiliary class Bromide,Carboxylic acid,Aliphatic hydrocarbon chain,Inhibitor, name is 3-Bromo-2-methylpropanoic acid, and the molecular formula is C8H10O2, Safety of 3-Bromo-2-methylpropanoic acid.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Mellander, Alfred published the artcileStereoisomers of α-alkylmercapto- and α-alkylsulfonepropionic acids, Product Details of C4H7BrO2, the publication is Arkiv. Kemi, Mineral. Geol. (1937), 12A(No. 16), 32 pp., database is CAplus.

The dl-form of α-propylmercaptopropionic acid, MeCH (SPr) CO₂H, was prepared by the addition of PrI (185 g.) to 106 g. α-thiolactic acid, 143 g. Na₂CO₃.10H₂O in 150 cc. H₂O and 41 g. caustic soda in 130 cc. H₂O. The α-iso-Pr derivative was similarly prepared Data are given for the following alkyl-mercapto derivatives (m. and b. ps. corrected): Me, m. 17.3°, b₉ 106.5°, d₄²⁰ 1.1464, n_D²⁰ 1.4843, M_D (mol. refraction by Lorenz-Lorentz’s formula) 29.99, k₂₅ (affinity constant by conductivity measurement) 1.73 × 10^-4; Et, b₉ 115.5°, d₄²⁰ 1.1087, n_D²⁰ 1.4798, M_D 34.35, k₂₅ 1.60 × 10^-4; Pr, b₈ 128.5°, d₄²⁰ 1.0595, n_D²⁰ 1.4765, M_D 39.47, k₂₆ 1.53 × 10^-3; isd-Pr, b₉ 121.4°, m. 14.6°, d₄²⁰ 1.0482, n_D²⁰ 1.4724, M_D 39.61, k₂₅ 1.67 × 10^-4. The corresponding sulfones, CH₃CH(SO₂R)CO₂H, were prepared by oxidation of the sulfides with KMnO₄ in alk. solution Their data follow: Me, m. 96.6°, k₂₅ 3.6 × 10^-3; Et, m. 62.6°, k₂₅ 3.25 × 10^-3; Pr, m. 59.5°; k₂₅ 3.11 × 10^-3; iso-Pr, m. 105.0°; k₂₅ 3.01 × 10^-3. Addition of Br to the sulfones gave the corresponding α-bromo-α-alkylsulfonepropionic acids as follows: Me, m. 173° (decomposition); Et, m. 96.5°; Pr, m. 125.4°; iso-Pr, m. 64.3°. Reduction of the Br derivatives with N₂H₄ gave the corresponding unsubstituted α-alkyl-sulfonepropionic acids. Resolution of dl-α-MeCH(SEt)CO₂H by crystallization of the brucine salt gave the l-form, [α]_D -111.8°, [α]_Hg -132.6°. Crystallization of the quinidine salt, m. 66-7°, from the mother liquor gave the d-form, [α]_D 111.8°, [α]_Hg 132.6°. The quinine salt of the l-Pr acid, m. 92.5-94°; the l-acid [α]_D -106.0°, [α]_Hg -126.0°. The d-acid was not isolated. d-Iso-Pr acid, [α]_D 113.7°, [α]_Hg 135.4°, was obtained by crystallization of the brucine salt, m. 76-77.5°. l-Acid, [α]_D -113.8°, [α]_Hg -135.5°, was prepared through the quinine salt, m. 132.2-4.4°. The above values of [α] were obtained by graphic interpolation of [α] values for a series of aqueous solutions of concentrations varying around 1%. The sp. rotation in aqueous solutions decreases on dilution, indicating that the undissociated acid has greater rotatory power than the ion. Distillation of the active form of the acids results in racemization. The active forms of the α-alkylsulfonepropionic acids were prepared by oxidation of the corresponding active sulfides, using KMnO₄ and phosphate buffer (p_H 6.98). The pure active forms could not be prepared by resolution of the dl-sulfones. The interpolated values of [α] for the sulfones are: l-Me [α]_D -24.5°, [α]_Hg -29.6°; d-Me [α]_D 24.5°, [α]_Hg 29.7°; l-Et [α]_D -32.7°, [α]_Hg -39.2°; d-Et [α]_D 32.6°, [α]_Hg 39.2°; l-Pr [α]_D -33.6°, [α]_Hg -40.6°; l-iso-Pr [α]_D -36.5°, [α]_Hg -44.2°; d-iso-Pr [α]_D 36.5°, [α]_Hg 44.2°.

Arkiv. Kemi, Mineral. Geol. published new progress about 56970-78-6. 56970-78-6 belongs to bromides-buliding-blocks, auxiliary class Bromide,Carboxylic acid,Aliphatic hydrocarbon chain,Inhibitor, name is 3-Bromo-2-methylpropanoic acid, and the molecular formula is C4H7BrO2, Product Details of C4H7BrO2.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Larsson, Erik published the artcileSome S-containing β-substituted derivatives of isobutyric acid, Name: 3-Bromo-2-methylpropanoic acid, the publication is Chalmers Tekniska Hoegskolas Handlingar (1944), 3-17, database is CAplus.

The preparation is described of β-alkyl, β-aryl, and β-arylalkyl sulfide derivatives, RSCH₂CHMeCO₂H (I), and of the corresponding sulfone carboxylic acids, RSO₂CH₂CHMeCO₂H (II). The synthesis of BrCH₂CHMeCO₂H (III) was improved by interacting HBr with CH₂: CMeCO₂H (IV) in CHCl₃. HSCH₂CHMeCO₂H (V) was prepared from (1) IV via MeCOSCH₂CHMeCO₂H, (2) III and NaHS, or (3) fission of EtOCS₂CH₂CHMeCO₂H prepared from EtOCS₂K and III. The Me derivative of V was prepared in aqueous solution by reaction of the di-Na salt of V with Me₂SO₄ or KMeSO₄; the Et, Pr, PhCH₂, and PhCH₂CH₂ derivatives from their halides and the di-Na salt of V in aqueous alc. solution The Ph derivative was prepared in aqueous solution from PhSNa and the Na salt of III. All of the sulfide acids (I) prepared consumed 4 equivalents of Br per mol. on oxidation in HCl solution, indicating conversion to the sulfone carboxylic acids (II). The latter were prepared by Br or KMnO₄ oxidation. The following phys. properties are given for I (R given): b.p./mm., d₄²⁰, n_D²⁰, n_F²⁰-n_C²⁰, MR_D(found) and mol. volume at 20°: Me 129-30°/12, 1.1086, 1.4815, 0.0112, 34.48, 121.1; Et 140-1°/12, 1.0684, 1.4780, 0.0110, 39.27, 138.7; Pr 138-9°/6, 1.0405, 1.4761, 0.0107, 43.97, 155.9; and PhCH₂CH₂ 190-5°/6, 1.1207, 1.5450, 0.0159, 63.28, 200.1. The I where R is iso-Pr b₈ 135-7°, m. 31°; Ph m. 45°; PhCH₂ m. 43°. The m.ps. of the following II are: Me 134°, Et 82°, Pr 75-6°, iso-Pr 109°, Ph 113°, PhCH₂ 154°, and PhCH₂CH₂ 93°. The PhCH₂ derivative of V was oxidized by K₂S₂O₈ or H₂O₂ to the sulfoxide (m. 110-11°) but the 2 theoretically possible forms of PhCH₂SOCH₂CHMeCO₂H could not be isolated. Oxidation of V with Br gave the sulfone acid. Compounds like II apparently ionize thus in alk. solution: RSO₂CH₂CHMeCO₂^– + OH^– = RSO₂^– + CH₂:CMe-CO₂^– + H₂O.

Chalmers Tekniska Hoegskolas Handlingar published new progress about 56970-78-6. 56970-78-6 belongs to bromides-buliding-blocks, auxiliary class Bromide,Carboxylic acid,Aliphatic hydrocarbon chain,Inhibitor, name is 3-Bromo-2-methylpropanoic acid, and the molecular formula is C4H7BrO2, Name: 3-Bromo-2-methylpropanoic acid.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Kounde, Cyrille S. published the artcileDiscovery of 2-oxopiperazine dengue inhibitors by scaffold morphing of a phenotypic high-throughput screening hit, Synthetic Route of 56970-78-6, the publication is Bioorganic & Medicinal Chemistry Letters (2017), 27(6), 1385-1389, database is CAplus and MEDLINE.

A series of 2-oxopiperazine derivatives were designed from the pyrrolopiperazinone cell-based screening hit 4 (I) as a dengue virus inhibitor. Systematic investigation of the structure-activity relationship (SAR) around the piperazinone ring led to the identification of compound (S)-29, which exhibited potent anti-dengue activity in the cell-based assay across all four dengue serotypes with EC₅₀ < 0.1 μM. Cross-resistant anal. confirmed that the virus NS4B protein remained the target of the new oxopiperazine analogs obtained via scaffold morphing from the HTS hit 4.

Bioorganic & Medicinal Chemistry Letters published new progress about 56970-78-6. 56970-78-6 belongs to bromides-buliding-blocks, auxiliary class Bromide,Carboxylic acid,Aliphatic hydrocarbon chain,Inhibitor, name is 3-Bromo-2-methylpropanoic acid, and the molecular formula is C4H7BrO2, Synthetic Route of 56970-78-6.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Horii, Zenichi published the artcileSyntheses of oxytocics. II. Synthesis of 2-[(1,2,3,4-tetrahydro-2-naphthyl)aminomethyl]propionic acid derivatives, Category: bromides-buliding-blocks, the publication is Yakugaku Zasshi (1961), 1786-91, database is CAplus and MEDLINE.

cf. ibid. 83,706-10(1962); CA 55, 23560d. 1,2,3,4-Tetrahydro-2-naphthylamine (29.4 g.), 80.8 g. CH₂:CMeCO₂Me, and 100 ml. MeOH refluxed 28 hrs. and the product distilled gave 38 g. Me 2-[(1,2,3,4-tetrahydro-2-naphthyl)-aminomethyl]propionate (I), b_0.02 126°. Saponification of 4.9 g. I in 50 ml. 3% KOH by refluxing 30 min., washing the solution with Et₂O and neutralization with 10% HCl gave 3.3 g. free acid (II) of I, m. 185-6° (EtOH). Catalytic reduction of 4.8 g. I in 4.4 g. 37% HCHO and 20 ml. MeOH with 2.5 g. 10% Pd-C, removing of the MeOH, removing of non-methylated NH₂ (II) by acetylation with Ac₂O, alkalizing with K₂CO₃, and extracting the product with Et₂O gave 3.5 g. Me 2-[N-methyl-(1,2,3,4-tetrahydro-2-naphthyl)aminomethyl]propionate (III), b_0.06 137-8°. Saponification of 1.3 g. III in 10 ml. 10% KOH by refluxing 4-5 hrs. and neutralization with 10% HCl to pH 6 gave 0.6 g. of the free acid (IV) of III, sublimed at 100-20°/0.1 mm., m. 123-5°. IV (0.5 g.) in 5 ml. MeOH treated dropwise with HCl in Et₂O and the solvent removed gave N-methyl-(1,2,3,4-tetrahydro-2-naphthyl)amine-HCl (V), m. 212°. A mixture of 16.1 g. V, 20 ml. EtOH, 45.6 g. CH₂:CMeCO₂Et and 1-2 drops AcOH refluxed 100 hrs. and the product distilled gave 2.3 g. Et ester (VI) of IV, b_0.03 118-23°. I (4.9 g.) and 50 ml. MeOH saturated with NH₃ at 0° in autoclave heated 8 hrs. at 120-30° and the product distilled gave 2.3 g. 2-[(1,2,3,4-tetrahydro-2-naphthyl)aminomethyl]propionamide, m. 91-2° (AcOEt). MeCH(CH₂Br)CO₂H, b₁₄ 115°. MeCH(CH₂Br)COCl, b₂₇ 72-3°. MeCH(CH₂Br)CONHPh, m. 109-11° (EtOH-H₂O). MeCH(CH₂Br)CONMe₂ (VII), b₃ 94-5°. MeCH(CH₂Br)CONEt₂ (VIII), b_0.2 85°. 1,2,3,4-Tetrahydro-2-naphthylamine (IX) (14.7 g.) and 9.7 g. VII in 50 ml. CHCl₃ refluxed 4 hrs., the solution filtered and the filtrate extracted with 10% HCl gave 3.4 g. N,N-dimethyl-2-[(1,2,3,4-tetrahydro-2-naphthyl)aminomethyl]propionamide (X), b_0.01 168-70°. Similarly, 11.7 g. IX and 8.8 g. VIII gave 7 g. N,N-di-Et analog of X, b_0.05 205-20°. IX (14.7 g.) and 10 g. CH₂:CHCO₂Me in 100 ml. MeOH kept 3 days at room temperature gave 21 g. N-(1,2,3,4-tetrahydro-2-naphthyl)-β-alanine Me ester, b_0.1 154-7°; HCl salt, m. 152-3°.

Yakugaku Zasshi published new progress about 56970-78-6. 56970-78-6 belongs to bromides-buliding-blocks, auxiliary class Bromide,Carboxylic acid,Aliphatic hydrocarbon chain,Inhibitor, name is 3-Bromo-2-methylpropanoic acid, and the molecular formula is C4H7BrO2, Category: bromides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Slegel, P. published the artcileEnantiomeric separation of chiral carboxylic acids, as their diastereomeric carboxamides, by thin-layer chromatography, Product Details of C4H7BrO2, the publication is Journal of Pharmaceutical and Biomedical Analysis (1987), 5(7), 665-73, database is CAplus and MEDLINE.

A thin-layer chromatog. (TLC) method is described for the enantiomeric separation of chiral carboxylic acids using chiral derivatization and nonchiral TLC conditions (ordinary plates and mobile phases) to sep. the diastereomeric carboxamides obtained. New chiral derivatizing agents, “levobase” (1R, 2R)-(-)-1-(4-nitrophenyl)-2-amino-1,3-propanediol, and “dextrobase” (the enantiomer of levobase) are used for carboxamide formation in the presence of dicyclohexylcabodiimide as coupling agent. The procedure is very simple and convenient to carry out. Good resolution is obtained for a wide range of carboxylic acid enantiomeric pairs containing 1 to 2 chiral centers.

Journal of Pharmaceutical and Biomedical Analysis published new progress about 56970-78-6. 56970-78-6 belongs to bromides-buliding-blocks, auxiliary class Bromide,Carboxylic acid,Aliphatic hydrocarbon chain,Inhibitor, name is 3-Bromo-2-methylpropanoic acid, and the molecular formula is Al2H32O28S3, Product Details of C4H7BrO2.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary