Benzoic acid (S)-sec-butyl ester

Base Information

Chemical Name:Benzoic acid (S)-sec-butyl ester
CAS No.:4909-81-3
Molecular Formula:C11H14O2
Molecular Weight:178.231
Hs Code.:
DSSTox Substance ID:DTXSID501309399
Nikkaji Number:J1.036.488D
Mol file:4909-81-3.mol

Synonyms:4909-81-3;(S)-sec-Butyl benzoate;Benzoic acid, (1S)-1-methylpropyl ester;Benzoic acid (S)-sec-butyl ester;starbld0001388;(2S)-butan-2-yl benzoate;(1S)-1-Methylpropyl benzoate;SCHEMBL2980323;[(2S)-butan-2-yl] benzoate;DTXSID501309399

Suppliers and Price of Benzoic acid (S)-sec-butyl ester

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 4 raw suppliers

Chemical Property of Benzoic acid (S)-sec-butyl ester

Chemical Property:

PSA：0.00000
LogP:0.00000
XLogP3:3.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:178.099379685
Heavy Atom Count:13
Complexity:160

Purity/Quality:: 95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of Benzoic acid (S)-sec-butyl ester

There total 60 articles about Benzoic acid (S)-sec-butyl 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: 94.0%

: 78-86-4,53178-20-4
s-butyl chloride

: 94-36-0
dibenzoyl peroxide

: 4909-81-3,5519-33-5,5556-97-8,3306-36-3
s-butyl benzoate

Guidance literature:: With 1,10-Phenanthroline; oxygen; copper diacetate; sodium t-butanolate; In dimethyl sulfoxide; at 80 ℃; for 24h;
DOI:10.1016/j.tet.2013.11.085