METHYL BENZOATE-2,3,4,5,6-D5

Base Information

• Chemical Name: METHYL BENZOATE-2,3,4,5,6-D5
• CAS No.: 68661-19-8
• Molecular Formula: C8H3 D5 O2
• Molecular Weight: 141.111
• Mol file: 68661-19-8.mol

Synonyms:d-5-Benzoesaeuremethylester;(2S,3S,3a'S,4S,5'R)-8'-hydroxy-4-((S)-3-(methoxycarbonyl)-3-methyl-2-oxopentyl)-3-methyl-5'-pentyl-3',3a',4,5,5',6'-hexahydro-3H-spiro[furan-2,2'-pyrano[2,3,4-de]chromene]-9'-carboxylic acid;Pentadeuterio-benzoesaeure-methylester;<2H5>-Methylbenzoat;Methyl-benzoat-d(5);methyl [(2)H5]-benzoate;2,3,4,5,6-pentadeuterio-benzoic acid methyl ester;

Chemical Property of METHYL BENZOATE-2,3,4,5,6-D5

Chemical Property:

• PSA: 26.30000
• LogP: 1.47320

Purity/Quality:

99% ^*data from raw suppliers

MethylBenzoate-2,3,4,5,6-d5 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Methyl Benzoate-2,3,4,5,6-d5 (CAS# 68661-19-8) is a useful isotopically labeled research compound.

Technology Process of METHYL BENZOATE-2,3,4,5,6-D5

There total 6 articles about METHYL BENZOATE-2,3,4,5,6-D5 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:

methanol (67-56-1) + benzoic acid-2,3,4,5,6-d5 (1079-02-3) → methyl [2,3,4,5,6 -2H5]benzoate (68661-19-8)

Guidance literature:

With sulfuric acid;

DOI:10.1002/oms.1210161003

Reference yield:

tetramethylorthosilicate (681-84-5) + benzaldehyde-d6 (17901-93-8) → methyl [2,3,4,5,6 -2H5]benzoate (68661-19-8)

Guidance literature:

With tetrabutyl ammonium fluoride; (t-Bu₂POH)2PdCl₂; In [D₃]acetonitrile; acetonitrile; at 50 ℃; for 12h;

DOI:10.1021/ja063476c

Reference yield:

bromobenzene-d5 (4165-57-5) → methyl [2,3,4,5,6 -2H5]benzoate (68661-19-8)

Guidance literature:

Multi-step reaction with 2 steps

1: magnesium

2: sulphuric acid

With sulfuric acid; magnesium;

DOI:10.1002/oms.1210161003

upstream raw materials:

methanol

benzoic acid-2,3,4,5,6-d5

tetramethylorthosilicate

benzaldehyde-d6

Downstream raw materials:

<2,3,4,5,6-D5>-benzyl alcohol

benzyl alcohol-d7

5>Benzylchlorid

C₁₃H₁₀⁽²⁾H₄O₄