S-(2-Bromo-5-fluorophenyl) dimethylcarbamothioate

Base Information

Chemical Name:S-(2-Bromo-5-fluorophenyl) dimethylcarbamothioate
CAS No.:147460-42-2
Molecular Formula:C9H9BrFNOS
Molecular Weight:278.145
Hs Code.:
DSSTox Substance ID:DTXSID20474188
Wikidata:Q82304024
Mol file:147460-42-2.mol

Synonyms:147460-42-2;S-(2-Bromo-5-fluorophenyl) dimethylcarbamothioate;SCHEMBL3023660;DTXSID20474188;DNZUBUIGPXKUNQ-UHFFFAOYSA-N;S-(2-bromo-5-fluorophenyl) dimethylthiocarbamate

Suppliers and Price of S-(2-Bromo-5-fluorophenyl) dimethylcarbamothioate

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 2 raw suppliers

Chemical Property of S-(2-Bromo-5-fluorophenyl) dimethylcarbamothioate

Chemical Property:

XLogP3:3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:276.95723
Heavy Atom Count:14
Complexity:215

Purity/Quality:: 99.90% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN(C)C(=O)SC1=C(C=CC(=C1)F)Br

Technology Process of S-(2-Bromo-5-fluorophenyl) dimethylcarbamothioate

There total 2 articles about S-(2-Bromo-5-fluorophenyl) dimethylcarbamothioate 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: 79.0%

: 147460-40-0
1-(2-bromo-5-fluorophenoxy)-N,N-dimethylmethanethioamide

: 147460-42-2
1-[(2-bromo-5-fluorophenyl)sulfanyl]-N,N-dimethylformamide

Guidance literature:: In diphenyl ether; at 260 - 300 ℃; for 5h;

Reference yield:

: 147460-41-1
2-bromo-5-fluorophenol

: 147460-42-2
1-[(2-bromo-5-fluorophenyl)sulfanyl]-N,N-dimethylformamide

Guidance literature:: Multi-step reaction with 2 steps

1: 1,4-diazabicyclo[2.2.2]octane / dimethylformamide / 230 °C

2: N,N-diethylaniline / Heating

With 1,4-diaza-bicyclo[2.2.2]octane; N,N-diethylaniline; In N,N-dimethyl-formamide; 2: Newman-Kwart rearrangement;
DOI:10.1021/jm020094i