thiobenzoic acid O-butyl ester

Base Information

Chemical Name:thiobenzoic acid O-butyl ester
CAS No.:942-96-1
Molecular Formula:C₁₁H₁₄OS
Molecular Weight:194.298
Hs Code.:
DSSTox Substance ID:DTXSID00711366
Nikkaji Number:J2.824.713C
Wikidata:Q82646989

Synonyms:thiobenzoic acid O-butyl ester;942-96-1;O-Butyl benzenecarbothioate;SCHEMBL6057166;DTXSID00711366

Suppliers and Price of thiobenzoic acid O-butyl 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 thiobenzoic acid O-butyl ester

Chemical Property:

XLogP3:4.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:194.07653624
Heavy Atom Count:13
Complexity:150

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCCCOC(=S)C1=CC=CC=C1

Technology Process of thiobenzoic acid O-butyl ester

There total 7 articles about thiobenzoic acid O-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: 72.0%

: 5873-86-9
methyl thiobenzoate

: 2372-45-4
sodium butanolate

: 71-36-3
butan-1-ol

: 942-96-1
O-butyl benzothioate

Guidance literature:: at 75 ℃; for 0.25h;
DOI:10.1021/acs.joc.8b02260

Reference yield: 46.0%

: 136-60-7
benzoic acid, butyl ester

: 942-96-1
O-butyl benzothioate

Guidance literature:: With Lawessons reagent; In 5,5-dimethyl-1,3-cyclohexadiene; at 150 ℃; for 1h;
DOI:10.1002/chem.201904132

Reference yield:

: 636-04-4
N-Phenylbenzothioamide

: 942-96-1
O-butyl benzothioate

Guidance literature:: Multi-step reaction with 2 steps

1: dmap / acetonitrile / 15 h / 20 °C / Sealed tube; Inert atmosphere

2: palladium diacetate; tris(pentafluorophenyl)phosphine; potassium phosphate / toluene / 12 h / 110 °C / Inert atmosphere; Sealed tube

With dmap; potassium phosphate; palladium diacetate; tris(pentafluorophenyl)phosphine; In toluene; acetonitrile;
DOI:10.1039/d1ob02349g