D3-METHYL BENZOYLFORMATE

Base Information

• Chemical Name: D3-METHYL BENZOYLFORMATE
• CAS No.: 134839-87-5
• Molecular Formula: C9H5 D3 O3
• Molecular Weight: 167.137
• Mol file: 134839-87-5.mol

Synonyms:Methyl-d3benzoylformate; Methyl-d3 phenylglyoxylate; Methyl-d3 a-oxobenzeneacetate

Chemical Property of D3-METHYL BENZOYLFORMATE

Chemical Property:

• PSA: 43.37000
• LogP: 1.04230

Purity/Quality:

99% ^*data from raw suppliers

D3-METHYL BENZOYLFORMATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of D3-METHYL BENZOYLFORMATE

There total 12 articles about D3-METHYL BENZOYLFORMATE 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:

phenylglyoxylic acid ethyl ester (1603-79-8) + d(4)-methanol (811-98-3) → ethyl [2]alcohol (925-93-9) + d3-Methyl benzoylformate (134839-87-5)

Guidance literature:

at 20 ℃; Kinetics;

DOI:10.5012/bkcs.2014.35.12.3423

Reference yield:

(E)-3,3-diisopropyl-1-(phenylethynyl)triaz-1-ene → d3-Methyl benzoylformate (134839-87-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 2-chloropyridine-N-oxide; iodine / acetonitrile / 0.83 h / 20 °C / Inert atmosphere

2: trifluorormethanesulfonic acid / 0.98 h / 20 °C

With 2-chloropyridine-N-oxide; trifluorormethanesulfonic acid; iodine; In acetonitrile;

DOI:10.1021/acs.orglett.9b02248

Reference yield:

d(4)-methanol (811-98-3) + (E)-1-(3,3-diisopropyltriaz-1-en-1-yl)-2-phenylethane-1,2-dione → d3-Methyl benzoylformate (134839-87-5)

Guidance literature:

With trifluorormethanesulfonic acid; at 20 ℃; for 0.983333h;

DOI:10.1021/acs.orglett.9b02248

upstream raw materials:

d⁽⁴⁾-methanol

2,2-dibromoacetophenone

phenylglyoxylic acid ethyl ester

benzyl oxo(phenyl)acetate

Downstream raw materials:

1-d3-Methyl-4-methyl 2-phenylfumarate

1-d3-Methyl-4-methyl 2-phenylmaleate

C₁₂H₁₁⁽²⁾H₃O₄

Refernces

• 1、 Song, Song-Ei,Lim, Bum Hee,Han, Kwan Woo,Park, Tae Jun,Park, Bong Ser. "Mechanistic studies on alcoholysis of α-keto esters". supporting information. p. 3423 - 3424. Retrieved 2015/02/05.