Category: 941-37-7

Application of 941-37-7, Chemo-enzymatic cascade processes are invaluable due to their ability to rapidly construct high-value products from available feedstock chemicals in a one-pot relay manner. 941-37-7, Name is 1-Bromo-3,5-dimethyladamantane, SMILES is CC1(C2)CC3(C)CC2(Br)CC(C3)C1, belongs to bromides-buliding-blocks compound. In a article, author is Banerjee, Swarup, introduce new discover of the category.

Heterogeneous dynamics, correlated time and length scales in ionic deep eutectics: Anion and temperature dependence

Heterogeneous relaxation dynamics often characterizes deep eutectic solvents. Extensive and molecular dynamics simulations have been carried out in the temperature range, 303 <= T/K <= 370, for studying the anion and temperature dependencies of heterogeneous dynamics of three different ionic acetamide deep eutectics: acetamide + LiX, X being bromide (Br-), nitrate (NO3-), and perchlorate (ClO4-). These systems are chosen because the fractional viscosity dependence of average relaxation rates reported by various measurements has been attributed to the heterogeneous dynamics of these systems. Simulations performed here attempt to characterize the heterogeneous relaxation dynamics in terms of correlated time and length scales and understand the solution inhomogeneity in microscopic terms. Additionally, simulation studies for pure molten acetamide have been performed to understand the impact of ions on motional features of acetamide in these ionic deep eutectic systems. The computed radial distribution functions suggest microheterogeneous solution structure and dependence upon anion identity and temperature. A significant plateau in the simulated time dependent mean squared displacements indicates pronounced cage-rattling and inhomogeneity in relaxation dynamics. Simulated diffusion coefficients for acetamide and ions show decoupling from the simulated viscosities of these deep eutectics. Calculated two- and four-point correlation functions reveal the presence of dynamic heterogeneity even at similar to 180 K above the measured thermodynamic glass transition temperature (T-g). Further analyses reveal the existence of multiple timescales that respond strongly to the rise in solution temperature. The simulated dynamic structure factor and overlap function relaxations show strong stretched exponential relaxations. The simulation results support the experimental observation that the bromide system is the most dynamically heterogeneous among these three systems. Correlated length scales show much weaker anion and temperature dependencies with an estimated length of similar to 1 nm, suggesting formation of clusters at the local level as the origin for the micro-heterogeneous nature of these ionic deep eutectics. Application of 941-37-7, Each elementary reaction can be described in terms of its molecularity, the number of molecules that collide in that step. The slowest step in a reaction mechanism is the rate-determining step.you can also check out more blogs about 941-37-7.

Reference of 941-37-7, In the chemical reaction process, reaction time, type of solvent, can easily affect the result of the reaction, thereby determining the yield and properties of the reaction product. An updated downstream synthesis route of 941-37-7 as follows.

To 100g of 1-bromo-3, 5-dimethyl adamantane and 86g of urea, adding 80ml of 80wt% formic acid, heating to 80C and holding for 3 hours. Cooling to the room temperature and adding 75ml of 85% phosphoric acid to hydrolyze at 80C for 1 hour. Adjusting with 10% potassium hydroxide aqueous solution to a pH of 12. Extracting with toluene twice, combining the organic layers and washing with water. Concentrating under reduced pressure to yield a limpid yellow solution as 1-amino-3,5-dimethyl adamantane crude. To the crude, adding 150ml of ethanol and concentrated hydrochloric acid, heating to dissolve and crystallizing to yield a white solid. Drying the solid and re-crystallizing with ethanol to yield 61.0g of pure Memantine Hydrochloride. The yield is 68.8% (GC 99.5%). 1HNMR (CDCl3, 400MHZ): delta0.833 (6H, singlet), 1.156 (2H, quartet), 1.328 (4H, quartet), 1.683(4H, quartet), 1.869 (2H, broad signal), 2.179 (1H, broad signal), 8.28 (3H, broad signal). MS (Q-Tof micro, ESI+): 179(M+), 164, 122, 108, 93 and 55. Element Analysis (C12H21N.HCl): actual results (calculated value%): C 66.77 (66.80), H 10.40 (10.28), N 6.48(6.49) and Cl 16.39(16.43)

According to the analysis of related databases, 941-37-7, the application of this compound in the production field has become more and more popular.

Reference:
Patent; Shanghai Institute of Pharmaceutical Industry; Zhejiang Kangyu Pharmaceutical Co., Ltd.; EP1674446; (2006); A1;,
Bromide – Wikipedia,
bromide – Wiktionary

941-37-7, The chemical industry reduces the impact on the environment during synthesis 941-37-7, name is 1-Bromo-3,5-dimethyladamantane, I believe this compound will play a more active role in future production and life.

To 100g of 1-bromo-3,5-dimethyl adamantane and 86g of urea, adding 80ml of 80wt% formic acid, heating to 80C and holding for 3 hours. Cooling to the room temperature and adding 95ml of concentrated hydrochloric acid to hydrolyze at 80C for about 1 hour. Adjusting with 30% sodium hydroxide to a pH of 12, extracting with toluene twice, combining the organic layers and washing with water. Concentrating under reduced pressure to yield a limpid yellow solution as the 1-amino-3,5-dimethyl adamantane crude. To the crude, adding 150ml of ethanol and concentrated hydrochloric acid, heating to dissolve and crystallizing to yield white solid. Drying the solid and re-crystallizing with ethanol to yield 61.0g of pure Memantine Hydrochloride. The yield of product is 68.8% (GC 99.5%). 1HNMR (CDCl3, 400MHZ): delta0.833 (6H, singlet), 1.156 (2H, quartet), 1.328 (4H, quartet), 1.683 (4H, quartet), 1.869 (2H, broad signal), 2.179 (1H, broad signal), 8.28(3H, broad signal). MS (Q-Tof micro, ESI+): 179(M+), 164, 122, 108, 93 and 55. Element Analysis (C12H21N.HCl): actual results (calculated value%): C 66.77(66.80), H 10.40(10.28), N 6.48(6.49), Cl 16.39(16.43); To 100g of 1-bromo-3, 5-dimethyl adamantane and 86g of urea, adding 72ml of 94wt% formic acid, heating to 120C and holding for 2 hours. Cooling to the room temperature and adding 385ml of 10% hydrochloric acid to hydrolyze at 100C for about 1 hour. Adjusting with 30% sodium hydroxide solution to a pH of 12, extracting with butyl acetate twice, combining the organic layers and washing with water. Concentrating under reduced pressure to yield a limpid yellow solution as 1-amino-3,5-dimethyl adamantane crude. To the crude, adding 150ml of ethanol and concentrated hydrochloric acid, heating to dissolve and crystallizing to yield white solid. Drying the solid and re-crystallizing with water to yield 60.4g of pure Memantine Hydrochloride. The yield is 68.1 % (GC 99.1 %).

The chemical industry reduces the impact on the environment during synthesis 1-Bromo-3,5-dimethyladamantane. I believe this compound will play a more active role in future production and life.

Reference:
Patent; Shanghai Institute of Pharmaceutical Industry; Zhejiang Kangyu Pharmaceutical Co., Ltd.; EP1674446; (2006); A1;,
Bromide – Wikipedia,
bromide – Wiktionary

Adding a certain compound to certain chemical reactions, such as: 941-37-7, name is 1-Bromo-3,5-dimethyladamantane, belongs to bromides-buliding-blocks compound, can increase the reaction rate and produce products with better performance than those obtained under traditional synthetic methods. Here is a downstream synthesis route of the compound 941-37-7, 941-37-7

To a solution of l-Bromo-3,5-dimethyl adamantane (100 gm) in acetonitrile (370 ml), sulphuric acid (760 ml) was added slowly at a temperature of 10-150C over 4hrs under nitrogen atmosphere. Temperature of the reaction mass was slowly raised over 2 hrs and maintained at 20-250C for 12 hrs under nitrogen purging. Nitrogen purging was continued for further 4 hrs. Reaction mass was transferred into a mixture of toluene (1000 ml) and ice (3.0 Kg) at temperature below 100C. Temperature of reaction mass was raised, maintained for 30 min at 25 -3O0C and allowed to settle for 15 min. Layers were separated and the aqueous layer was extracted with toluene (1800 ml), dried over sodium sulfate, treated with activated carbon (5 gm) and filtered. Clear filtrate was collected and toluene was distilled off under vacuum below 5O0C. The obtained residue was dissolved in ethanol (80 ml) and p-toluene sulfonic acid (90.8 gm) was added in 4 lots at temperature of 25-35C over 30 min. Reaction mass was maintained for 60 min and diisopropyl ether (240 ml) was added over 30 min. Reaction mixture was maintained at 25-35C for 30 min, cooled and maintained at 0-5C for 1 hr. Product was filtered, wet cake was washed with chilled diisopropyl ether. (50 ml) and dried at a temperature of 45-500C for 4 hrs. The dried product (100 gm) was dissolved in methylene chloride (150 ml) and acetone (300 ml) was added slowly over 30 min. Reaction mixture was maintained at 25 – 3O0C for 30 min. Cooled the mass to 10-150C and maintained for 60 min. The precipitated product was filtered, wet cake was washed with chilled acetone (50 ml) and dried at 45-5O0C. Yield: 51.2%.

In the field of chemistry, the synthetic routes of compounds are constantly being developed and updated. I will also mention this compound in other articles, 1-Bromo-3,5-dimethyladamantane, other downstream synthetic routes, hurry up and to see.

Reference:
Patent; MATRIX LABORATORIES LIMITED; WO2007/132476; (2007); A2;,
Bromide – Wikipedia,
bromide – Wiktionary