3-Oxobut-1-en-1-yl thiocyanate

Base Information

Chemical Name:3-Oxobut-1-en-1-yl thiocyanate
CAS No.:408533-13-1
Molecular Formula:C₅H₅NOS
Molecular Weight:127.167
Hs Code.:
DSSTox Substance ID:DTXSID50709157
Mol file:408533-13-1.mol

Synonyms:408533-13-1;3-Oxobut-1-en-1-yl thiocyanate;DTXSID50709157

Suppliers and Price of 3-Oxobut-1-en-1-yl thiocyanate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 3-Oxobut-1-en-1-yl thiocyanate

Chemical Property:

XLogP3:0.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:127.00918496
Heavy Atom Count:8
Complexity:153

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of 3-Oxobut-1-en-1-yl thiocyanate

There total 6 articles about 3-Oxobut-1-en-1-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: 87.0%

: 1423-60-5
methyl ethynyl ketone

: 408533-13-1
(Z)-4-thiocyanatobut-3-en-2-one

Guidance literature:: With water; potassium thioacyanate; at 50 ℃; for 10h; Green chemistry;
DOI:10.1016/j.tet.2019.07.014

Reference yield:

: ammonium thiocyanate

: 1423-60-5
methyl ethynyl ketone

: 408533-13-1
(E)-4-thiocyanatobut-3-en-2-one

Guidance literature:: In hexane; sulfuric acid;

Reference yield:

: 333-20-0
potassium thioacyanate

: 1423-60-5
methyl ethynyl ketone

: 408533-13-1
(E)-4-thiocyanatobut-3-en-2-one

: 408533-13-1
(Z)-4-thiocyanatobut-3-en-2-one

Guidance literature:: With N-propanesulfonic acid pyridinium hydrogen sulfate; water; at 25 - 38 ℃; Overall yield = 87 %; Sonication; Green chemistry;
DOI:10.1039/c8gc00491a