Benzoic acid, 4-[(1R,3S)-3-hydroxy-1-methylbutyl]-, methyl ester, rel- (9CI)

Base Information

Chemical Name:Benzoic acid, 4-[(1R,3S)-3-hydroxy-1-methylbutyl]-, methyl ester, rel- (9CI)
CAS No.:497069-11-1
Molecular Formula:C₁₃H₁₈O₃
Molecular Weight:222.284
Hs Code.:
Mol file:497069-11-1.mol

Synonyms:Benzoic acid, 4-[(1R,3S)-3-hydroxy-1-methylbutyl]-, methyl ester, rel- (9CI)

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Benzoic acid, 4-[(1R,3S)-3-hydroxy-1-methylbutyl]-, methyl ester, rel- (9CI)

Chemical Property:

PSA：46.53000
LogP:2.34760

Purity/Quality:

Safty Information:

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Hazard Codes:

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Technology Process of Benzoic acid, 4-[(1R,3S)-3-hydroxy-1-methylbutyl]-, methyl ester, rel- (9CI)

There total 5 articles about Benzoic acid, 4-[(1R,3S)-3-hydroxy-1-methylbutyl]-, methyl ester, rel- (9CI) 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: 55.0%

: 497068-95-8
3-iodo-1-methylbutyl p-(methoxycarbonyl)benzenesulfonate

: 497069-11-1
4-[p-(methoxycarbonyl)phenyl]-2-pentanol

Guidance literature:: With tri-n-butyl-tin hydride; 2,2'-azobis(isobutyronitrile); In benzene; at 80 ℃; for 7.5h;
DOI:10.1002/1099-0690(200208)2002:16<2742::AID-EJOC2742>3.0.CO;2-R

Reference yield:

: 619-42-1
4-methoxycarbonylphenyl bromide

: 76137-48-9
(+/-)-4-Bromopentan-2-ol

: 497069-11-1
4-[p-(methoxycarbonyl)phenyl]-2-pentanol

Guidance literature:: With pyridine; [nickel(II)(pyridine)4(chloride)2]; 4,4'-di-tert-butyl-2,2'-bipyridine; magnesium chloride; zinc; In N,N-dimethyl acetamide; at 25 ℃;
DOI:10.1021/acscatal.1c04239

Reference yield:

: 1825-14-5,3950-21-8,36402-52-5,42075-32-1,72345-23-4,625-69-4
pentane-1,3-diol

: 497069-11-1
4-[p-(methoxycarbonyl)phenyl]-2-pentanol

Guidance literature:: Multi-step reaction with 3 steps

1.1: NEt₃; mesyl chloride / CH₂Cl₂ / 14 h / 0 - 20 °C

1.2: 28 percent / MgI₂ / diethyl ether / 0.75 h / 20 °C

2.1: 26 percent / Et₃N; Me₃N*HCl / CH₂Cl₂

3.1: 55 percent / Bu₃SnH / AIBN / benzene / 7.5 h / 80 °C

With tri-n-butyl-tin hydride; trimethylamine hydrochloride; methanesulfonyl chloride; triethylamine; 2,2'-azobis(isobutyronitrile); In dichloromethane; benzene;
DOI:10.1002/1099-0690(200208)2002:16<2742::AID-EJOC2742>3.0.CO;2-R