TRIMETHYL-D9-ACETIC ACID

Base Information

• Chemical Name: TRIMETHYL-D9-ACETIC ACID
• CAS No.: 42983-07-3
• Molecular Formula: C5H D9 O2
• Molecular Weight: 111.19
• Mol file: 42983-07-3.mol

Synonyms:Pivalic-d9acid (6CI,7CI); Pivalic acid-d9

Chemical Property of TRIMETHYL-D9-ACETIC ACID

Chemical Property:

• PSA: 37.30000
• LogP: 1.11710

Purity/Quality:

99% ^*data from raw suppliers

Pivalicacid-d9 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of TRIMETHYL-D9-ACETIC ACID

There total 6 articles about TRIMETHYL-D9-ACETIC ACID which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

3,3-dimethyl-2-butanone-d12 (75160-22-4) → 2,2-dimethylpropanoic acid-d9 (42983-07-3)

Guidance literature:

With sodium hydroxide; bromine;

DOI:10.1021/jp982180t

Reference yield:

carbon dioxide (124-38-9,18923-20-1) + tert-butyl chloride-d9 (918-20-7) → pivalic-d7 acid + pivalic-d7 acid + 2,2-dimethylpropanoic acid-d9 (42983-07-3) + 2,2-Di(<2H3>methyl)propansaeure (95926-89-9)

Guidance literature:

tert-butyl chloride-d9; With magnesium; In diethyl ether; for 2h; Heating;

carbon dioxide; In diethyl ether; at 20 ℃; for 0.5h;

With sulfuric acid; In diethyl ether; Further stages. Title compound not separated from byproducts.;

DOI:10.1021/ja069103t

Reference yield:

Trimethylacetic acid (75-98-9) → 2,2-dimethylpropanoic acid-d9 (42983-07-3)

Guidance literature:

With 1,1,1,3,3,3-hexafluoropropan-2-ol-d1; palladium diacetate; N-(2-(dimethylamino)ethyl)-2,4,6-triisopropylbenzamide; silver carbonate; at 90 ℃; for 24h; Schlenk technique;

DOI:10.1021/jacs.1c06474

upstream raw materials:

carbon dioxide

tert-butyl chloride-d9

1,1,1,4,4,4-hexadeuterio-2,3-bis(trideuteriomethyl)-2,3-butanediol

3,3-dimethyl-2-butanone-d₁₂

Downstream raw materials:

N-(3-(5-(2-aminopyrimidin-4-yl)-2-tert-butylthiazol-4-yl)-2-fluorophenyl)-2,6-difluorobenzenesulfonamide-d₉

N-(3-(2-tert-butyl-5-(2-chloropyrimidin-4-yl)thiazol-4-yl)-2-fluorophenyl)-2,6-difluorobenzenesulfonamide-d₉

C₁₂H₇⁽²⁾H₁₁O₃S

neopentane-d12

Refernces

• 1、 Mal, Sourjya,Uttry, Alexander,Van Gemmeren, Manuel. "Late-Stage β-C(sp3)-H Deuteration of Carboxylic Acids". supporting information. p. 10895 - 10901. Retrieved 2021/08/03.
• 2、 Perrin, Charles L.,Dong, Yanmei. "Secondary deuterium isotope effects on the acidity of carboxylic acids and phenols". . p. 4490 - 4497. Retrieved 2008/02/04.