2-tert-Butylsulfanyl-benzoic acid

Base Information

Chemical Name:2-tert-Butylsulfanyl-benzoic acid
CAS No.:7611-60-1
Molecular Formula:C₁₁H₁₄O₂S
Molecular Weight:210.297
Hs Code.:2930909090
European Community (EC) Number:673-395-6
DSSTox Substance ID:DTXSID50355512
Wikidata:Q82134462
Mol file:7611-60-1.mol

Synonyms:7611-60-1;2-tert-butylsulfanylbenzoic acid;2-tert-Butylsulfanyl-benzoic acid;2-(tert-Butylthio)benzoic acid;2-(tert-Butylthio)benzoicacid;2-tert-Butylsulfanylbenzoicacid;SCHEMBL10447747;DTXSID50355512;2-(tert-butylsulfanyl)benzoic acid;AKOS000663749;AT22939;FS-1416;CS-0364856;SR-01000315734;SR-01000315734-1

Suppliers and Price of 2-tert-Butylsulfanyl-benzoic acid

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

Crysdot
2-(tert-Butylthio)benzoicacid 95+%
1g
$ 583.00

American Custom Chemicals Corporation
2-TERTBUTYL SULFANYLBENZOIC ACID 95.00%
5MG
$ 501.00

AHH
2-tert-Butylsulfanylbenzoicacid 98%
1g
$ 260.00

Total 7 raw suppliers

Chemical Property of 2-tert-Butylsulfanyl-benzoic acid

Chemical Property:

PSA：62.60000
LogP:3.27540
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:210.07145086
Heavy Atom Count:14
Complexity:208

Purity/Quality:

98%min ^*data from raw suppliers

2-(tert-Butylthio)benzoicacid 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)SC1=CC=CC=C1C(=O)O

Technology Process of 2-tert-Butylsulfanyl-benzoic acid

There total 4 articles about 2-tert-Butylsulfanyl-benzoic acid 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:

: 147-93-3
Thiosalicylic acid

: 75-65-0
tert-butyl alcohol

: 7611-60-1
2-(tert-butylthio)benzoic acid

Guidance literature:: With perchloric acid; acetic anhydride; acetic acid; In tetrahydrofuran; at 20 - 50 ℃; for 20h;
DOI:10.1039/c3ra45700a

Reference yield:

: 3019-19-0
tert-butyl phenyl sulfide

: 124-38-9,18923-20-1
carbon dioxide

: 7611-60-1
2-(tert-butylthio)benzoic acid

Guidance literature:: With n-butyllithium; N,N,N,N,-tetramethylethylenediamine; Yield given. Multistep reaction; 1.) hexane, 25 deg C, 3 h; 2.) hexane, -180 deg C;

Reference yield:

: 3019-19-0
tert-butyl phenyl sulfide

: 124-38-9,18923-20-1
carbon dioxide

: 7611-60-1
2-(tert-butylthio)benzoic acid

: 13205-51-1
4-(tert-butylthio)benzoic acid

: 3-(2-methyl-2-propylsulfanyl)benzoic acid

Guidance literature:: With n-butyllithium; N,N,N,N,-tetramethylethylenediamine; Product distribution; 1) hexane, r.t., 12 h, 2) quenching (with solid CO₂); The place of deprotonation was studied.;
DOI:10.1016/S0040-4020(01)92018-6