2-Methyl-3-oxobutan-2-yl thiocyanate

Base Information

Chemical Name:2-Methyl-3-oxobutan-2-yl thiocyanate
CAS No.:85829-79-4
Molecular Formula:C₆H₉NOS
Molecular Weight:143.21
Hs Code.:
DSSTox Substance ID:DTXSID40557200
Wikidata:Q82439031
Mol file:85829-79-4.mol

Synonyms:85829-79-4;2-Methyl-3-oxobutan-2-yl thiocyanate;SCHEMBL11034534;DTXSID40557200;IRKPTVMKHBIMGP-UHFFFAOYSA-N;3-methyl-3-thiocyanato-2-butanone;3-methyl-3-thio-cyanato-2-butanone

Suppliers and Price of 2-Methyl-3-oxobutan-2-yl thiocyanate

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 2-Methyl-3-oxobutan-2-yl thiocyanate

Chemical Property:

PSA：66.16000
LogP:1.56828
XLogP3:1.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:143.04048508
Heavy Atom Count:9
Complexity:165

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)C(C)(C)SC#N

Technology Process of 2-Methyl-3-oxobutan-2-yl thiocyanate

There total 2 articles about 2-Methyl-3-oxobutan-2-yl thiocyanate 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:

: 2648-71-7
3-bromo-3-methyl-2-butanone

: 85829-79-4
3-methyl-3-thiocyanatobutan-2-one

Guidance literature:: With potassium; In water; acetone;

Reference yield:

: 563-80-4
3-methyl-butan-2-one

: 7677-24-9
trimethylsilyl cyanide

: 85829-79-4
3-methyl-3-thiocyanatobutan-2-one

: C₆H₉NOS

Guidance literature:: With sulfur; In dimethyl sulfoxide; at 80 ℃; for 12h; Overall yield = 78 percent; Overall yield = 33.5 mg; regioselective reaction; Schlenk technique; Sealed tube;
DOI:10.1021/acs.joc.1c02431