Benzoic acid, 4-hydroxy-, (2S)-2-methylbutyl ester

Base Information

Chemical Name:Benzoic acid, 4-hydroxy-, (2S)-2-methylbutyl ester
CAS No.:85394-10-1
Molecular Formula:C12H16O3
Molecular Weight:208.25400
Hs Code.:
DSSTox Substance ID:DTXSID90543097
Nikkaji Number:J1.013.373D
Wikidata:Q82419934

Synonyms:85394-10-1;Benzoic acid, 4-hydroxy-, (2S)-2-methylbutyl ester;[(2S)-2-methylbutyl] 4-hydroxybenzoate;SCHEMBL6937249;DTXSID90543097;YCVMFKRVGOAHAA-VIFPVBQESA-N;(S)-2-methylbutyl 4 hydroxybenzoate;(S)-2-methylbutyl 4-hydroxybenzoate;(2S)-2-Methylbutyl 4-hydroxybenzoate;4-[(S)-2-methyl butoxycarbonyl]phenol

Suppliers and Price of Benzoic acid, 4-hydroxy-, (2S)-2-methylbutyl ester

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of Benzoic acid, 4-hydroxy-, (2S)-2-methylbutyl ester

Chemical Property:

PSA：46.53000
LogP:2.59510
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:208.109944368
Heavy Atom Count:15
Complexity:195

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC(C)COC(=O)C1=CC=C(C=C1)O
Isomeric SMILES:CC[C@H](C)COC(=O)C1=CC=C(C=C1)O

Technology Process of Benzoic acid, 4-hydroxy-, (2S)-2-methylbutyl ester

There total 3 articles about Benzoic acid, 4-hydroxy-, (2S)-2-methylbutyl ester 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: 93.0%

: 1565-80-6
(2S)-2-methyl-1-butanol

: 99-96-7
4-hydroxy-benzoic acid

: 85394-10-1
<(S)-2-methyl-1-butyl> p-hydroxybenzoate

Guidance literature:: With sulfuric acid; In benzene; Heating;

Reference yield:

: 1565-80-6
(2S)-2-methyl-1-butanol

: 85394-10-1
<(S)-2-methyl-1-butyl> p-hydroxybenzoate

Guidance literature:: Multi-step reaction with 2 steps

1: 24.5 g / pyridine / 1 h / 0 - 5 °C

2: 1.) sodium hydroxide / 1.) DMSO, 2.) DMSO, 4.5 h, 80 - 90 deg C

With pyridine; sodium hydroxide;