Category: 3972-64-3

Each compound has different characteristics, and only by selecting the characteristics of the compound suitable for a specific situation can the compound be applied on a large scale. 3972-64-3, name is 1-Bromo-3-(tert-butyl)benzene, This compound has unique chemical properties. The synthetic route is as follows., Recommanded Product: 1-Bromo-3-(tert-butyl)benzene

A 1.7 M solution of tert-butyllithium in pentane (2.60 mL, 4.42 mmol) was added to a solution of 1-bromo-3-tert-butyl-benzene (426 mg, 2.00 mmol) in tetrahydrofuran (5 mL) at-78 ¡ãC. After stirring for 1 h, tributyltin chloride (0.57 mL, 2.10 mmol) was added at-78 ¡ãC. After stirring for 18 h, during which time the solution warmed to ambient temperature, the solution was diluted with water and extracted with methylene chloride. The combined organic extracts were dried over magnesium sulfate, filtered, and concentrated to yield 976 mg (115percent yield) of tributyl- (3-tert-butyl-phenyl)-stannane as a impure light yellow oil.

According to the analysis of related databases, 3972-64-3, the application of this compound in the production field has become more and more popular.

Reference:
Patent; ELAN PHARMACEUTICALS, INC.; WO2005/87215; (2005); A1;,
Bromide – Wikipedia,
bromide – Wiktionary

In the next few decades, the world population will flourish. As the population grows rapidly and people all over the world use more and more resources, all industries must consider their environmental impact. 3972-64-3, name is 1-Bromo-3-(tert-butyl)benzene belongs to bromides-buliding-blocks compound, it is a common compound, a new synthetic route is introduced below. Computed Properties of C10H13Br

It was prepared as outlined in Scheme 1. In an oven-dried 50 mL round bottom flask under an atmosphere of anhydrous argon, THF (10 mL) was added followed by 1-bromo-3-tert-butylbenzene (5.00 mmol, 1.07 g). This clear, colourless solution was cooled to -90 ¡ãC using a Juablo cooler with a cold finger and an isopropanol bath in an appropriate sized Dewar. This solution was stirred at this temperature for 15 min to ensure it was sufficiently cold. Butyl lithium (3.44 mL, 1.60 M in hexanes) was added dropwise at -90 ¡ãC over 20 min. The resulting clear light yellow solution was stirred for 15 min at -90 ¡ãC. N-Methoxy-N-methyl-2-chloro-2,2-difluoroacetamide (5) (5.50 mmol, 1.00 g), described below, was dissolved in anhydrous THF (4 mL) then added dropwise to the cooled solution of the 1-lithium 3-tert-butylphenyl intermediate over 15 min. The resulting solution was stirred at -90 ¡ãC for 30 min then warmed to room temperature by removing the reaction flask from the cooling bath. The resulting reaction mixture was stirred for 16 h at room temperature then quenched with 1 M HCl (20 mL). The layers were separated and the aqueous layer was extracted with diethyl ether (3 * 10 mL). The combined organic layers were dried over Na2SO4, gravity filtered and concentrated in vacuo. The crude viscous clear liquid was purified by flash chromatography on silica gel (10percent ethyl acetate/90percent hexanes, Rf: 0.40) to yield the desired product as a clear, colourless liquid (0.629 g, 51percent). 1H NMR (CDCl3): d1.37 (s, 9H), 7.46 (t, J = 7.9 Hz,1H), 7.71?7.75 (m, 1H), 7.92?7.95 (m, 1H), 8.16 (br s, 1H) (SupplementaryFig. S19). 13C NMR (CDCl3): d 31.1, 35.0, 120.3 (t, JC,F = 305.1 Hz), 127.5, 127.8 (t, JC,F = 3.2 Hz), 128.6, 129.2, 132.5, 152.2, 181.5 (t, JC,F = 28.2 Hz) (Supplementary Fig. S20). IR (Neat):3410 (w), 3072 (m), 2964 (s), 2871 (s), 1713 (s), 1599 (s), 1579(s), 1367(s), 1162 (s) cm1 (Supplementary Fig. S21). LRMS m/z:248 (M+2, 2percent), 247 (M+1, 1percent), 246 (M+, 5percent), 233 (17percent), 231 (50percent), 203 (22percent), 162 (13percent), 161 (100percent), 145 (11percent), 118 (12percent), 117(10percent), 115 (10percent), 91 (11percent) (Supplementary Fig. S22). HRMS (ESI): MNa+ found 269.0524, calcd for C12H13ClF2ONa+ = 269.0515 (SupplementaryFig. S23). HPLC: Retention time 2.33 min; purity98percent (Supplementary Fig. S24).

The synthetic route of 3972-64-3 has been constantly updated, and we look forward to future research findings.

Reference:
Article; Jollymore-Hughes, Courtney T.; Pottie, Ian R.; Martin, Earl; Rosenberry, Terrone L.; Darvesh, Sultan; Bioorganic and Medicinal Chemistry; vol. 24; 21; (2016); p. 5270 – 5279;,
Bromide – Wikipedia,
bromide – Wiktionary

3972-64-3, Each compound has different characteristics, and only by selecting the characteristics of the compound suitable for a specific situation can the compound be applied on a large scale. 3972-64-3, name is 1-Bromo-3-(tert-butyl)benzene, This compound has unique chemical properties. The synthetic route is as follows.

A 1.6 M solution of nbutyllithium (1.7 mL, 2.72 mmol) was added to a solution of dicyclohexylamine (0.52 mL, 2.61 mmol) in toluene (10 mL). After stirring for 5 min, a mixture of cisltrans isomers of 4-methyl-cyclohexanecarboxylic acid methyl ester (342 mg, 2.19 mmol) was added. After stirring for 10 min, 1- bromo-3-teff-butyl-benzene (428 mg, 2.01 mmol) and bis (tri-tert- butylphosphine) palladium (0) (52 mg, 102//moi) was sequentially added. After stirring for 20 h, the solution was diluted with 10percent aqueous hydrochloric acid, and extracted with diethyl ether. The combined organic extracts were dried over magnesium sulfate, filtered, and concentrated. The residue was flash chromatographed with 49: 1,24 : 1, and 23: 2 hexanes: ethyl acetate as the eluant to yield 484 mg (84percent yield) of a mixture of cisltrans isomers of 1- (3-tert-butyl-phenyl)- 4-methyl-cyclohexanecarboxylic acid methyl ester as a light yellow oil. 1H NMR (300 MHz, CDCI3) ; d 7.51 and 7.40 (t and m, J=1.9 Hz, 1H), 7.33- 7.13 (m, 3 H), 3.65 (s, 3 H), 2.62 (m, 2H), 1. 77-1. 02 (broad m, 7 H), 1.30 (s, 9H), 0.91 (d, J=6.5 Hz, 3 H).

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Reference:
Patent; ELAN PHARMACEUTICALS, INC.; WO2005/87215; (2005); A1;,
Bromide – Wikipedia,
bromide – Wiktionary

3972-64-3, Researchers who often do experiments know that organic synthesis is a process of preparing more complex target molecules from simple raw materials through one or more chemical reactions. Generally, it requires fewer steps, and cheap raw materials. 3972-64-3, name is 1-Bromo-3-(tert-butyl)benzene, A new synthetic method of this compound is introduced below.

Aluminum chloride (8.0 g, 60 mmol) was stirred in CH2Cl2 (200 mL), and acetyl chloride (8.5 mL, 120 mmol) was slowly added, producing a homogeneous solution. A solution of 3-bromo tert-butyl benzene (11 g, 50 mmol) in CH2Cl2 (20 mL) was slowly added, and the reaction was stirred at room temperature 16 h. After being diluted with CH2Cl2, the reaction was washed with water, saturated aqueous NaHCO3, and water. The organic solution was dried over Na2SO4 and concentrated under vacuum. Purification by silica gel chromatography (0percent-50percent CH2Cl2-hexanes) afforded 1-(4-tert-butyl-2-bromophenyl)ethanone (3.1 g, 24percent yield) as a light yellow oil. 1H NMR (400 MHz, CDCl3) delta 7.61 (d, J=1.8 Hz, 1H), 7.46 (d, J=8.1 Hz, 1H), 7.37 (dd, J=8.1, 1.8 Hz, 1H), 2.63 (s, 3H), 1.32 (s, 9H) ppm.

The basis of chemical reaction formula synthesis, the synthesis route is composed of some specific reactions and combined according to certain logical thinking. We look forward to the emergence of more reaction modes in the future.

Reference:
Patent; Joshi, Pramod; Krenitsky, Paul; Gonzalez, Jesus; Wang, Jian; Wilson, Dean; Termin, Andreas; US2007/238733; (2007); A1;,
Bromide – Wikipedia,
bromide – Wiktionary