2-Acetoxy-2-methyl-3-(4-fluorophenylthio) propionic acid

Base Information

Chemical Name:2-Acetoxy-2-methyl-3-(4-fluorophenylthio) propionic acid
CAS No.:873014-27-8
Molecular Formula:C12H13FO4S
Molecular Weight:272.29300
Hs Code.:
European Community (EC) Number:617-997-9
DSSTox Substance ID:DTXSID20470847

Synonyms:2-acetoxy-2-methyl-3-(4-fluorophenylthio) propionic acid;873014-27-8;SCHEMBL3811748;DTXSID20470847;IFYGCEJTXCZEPF-UHFFFAOYSA-N

Suppliers and Price of 2-Acetoxy-2-methyl-3-(4-fluorophenylthio) propionic 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
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Total 0 raw suppliers

Chemical Property of 2-Acetoxy-2-methyl-3-(4-fluorophenylthio) propionic acid

Chemical Property:

PSA：88.90000
LogP:2.32420
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:272.05185823
Heavy Atom Count:18
Complexity:315

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)OC(C)(CSC1=CC=C(C=C1)F)C(=O)O

Technology Process of 2-Acetoxy-2-methyl-3-(4-fluorophenylthio) propionic acid

There total 1 articles about 2-Acetoxy-2-methyl-3-(4-fluorophenylthio) propionic 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: 100.0%

: 339530-91-5
3-(4-Fluoro-phenylsulfanyl)-2-hydroxy-2-methyl-propionic acid

: 108-24-7
acetic anhydride

: 873014-27-8
2-acetoxy-2-methyl-3-(4-fluorophenylthio) propionic acid

Guidance literature:: In toluene; at 100 ℃; for 5h;

Reference yield:

: 873014-27-8
2-acetoxy-2-methyl-3-(4-fluorophenylthio) propionic acid

: 2-acetoxy-2-methyl-3-(4-fluorophenylthio) propionyl chloride

Guidance literature:: With thionyl chloride; In toluene; at 20 - 90 ℃; for 3 - 4h;

Reference yield:

: 873014-27-8
2-acetoxy-2-methyl-3-(4-fluorophenylthio) propionic acid

: 654-70-6
4-amino-2-trifluoromethylbenzonitrile

: 873014-32-5
N-[4-cyano-3-(trifluoromethyl)-phenyl-]-3-[4-fluorophenylthio]-2-acetoxy-2-methyl-propionamide

Guidance literature:: 2-acetoxy-2-methyl-3-(4-fluorophenylthio) propionic acid; With chloroformic acid ethyl ester; triethylamine; In toluene; at 0 - 20 ℃; for 1h;

4-amino-2-trifluoromethylbenzonitrile; In toluene; at 75 - 80 ℃; Product distribution / selectivity;