1-Methyl-2-oxo-2-phenylethyl thiocyanate

Base Information

Chemical Name:1-Methyl-2-oxo-2-phenylethyl thiocyanate
CAS No.:21486-46-4
Molecular Formula:C10H9NOS
Molecular Weight:191.254
Hs Code.:
DSSTox Substance ID:DTXSID20449215
Nikkaji Number:J2.420.784F
Mol file:21486-46-4.mol

Synonyms:21486-46-4;Thiocyanic acid, 1-methyl-2-oxo-2-phenylethyl ester;1-Methyl-2-oxo-2-phenylethyl thiocyanate;alpha-(Cyanothio)propiophenone;SCHEMBL3761564;DTXSID20449215;MMLHCZBXGMTTPP-UHFFFAOYSA-N;AKOS040871102;2-(CYANOSULFANYL)-1-PHENYLPROPAN-1-ONE

Suppliers and Price of 1-Methyl-2-oxo-2-phenylethyl 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
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price

Total 1 raw suppliers

Chemical Property of 1-Methyl-2-oxo-2-phenylethyl thiocyanate

Chemical Property:

XLogP3:2.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:191.04048508
Heavy Atom Count:13
Complexity:224

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C(=O)C1=CC=CC=C1)SC#N

Technology Process of 1-Methyl-2-oxo-2-phenylethyl thiocyanate

There total 22 articles about 1-Methyl-2-oxo-2-phenylethyl 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: 98.0%

: 7677-24-9
trimethylsilyl cyanide

: 93-55-0
1-phenyl-propan-1-one

: 21486-46-4
1-phenyl-2-thiocyanato-propan-1-one

Guidance literature:: With sulfur; In dimethyl sulfoxide; at 80 ℃; for 24h; Solvent; Temperature; Reagent/catalyst; regioselective reaction; Schlenk technique; Sealed tube;
DOI:10.1021/acs.joc.1c02431

Reference yield: 98.0%

: 37471-46-8
1-phenyl-1-trimethylsiloxypropene

: N-thiocyanatodibenzenesulfonimide

: 21486-46-4
1-phenyl-2-thiocyanato-propan-1-one

Guidance literature:: In dichloromethane; at 25 ℃; Inert atmosphere; Sealed tube;
DOI:10.1021/acs.orglett.9b01706

Reference yield: 96.0%

: 1147550-11-5
ammonium thiocyanate

: 2114-00-3
2-bromo-1-phenyl-1-propanone

: 21486-46-4
1-phenyl-2-thiocyanato-propan-1-one

Guidance literature:: ammonium thiocyanate; With montmorillonite K₁₀ clay; In acetone; at 20 ℃; for 0.666667h;

2-bromo-1-phenyl-1-propanone; at 20 ℃; for 0.0111111h; Neat (no solvent); Grinding;
DOI:10.1016/j.tetlet.2012.01.113