Thiocyanic acid, cis-2-carbamoylvinyl ester

Base Information

• Chemical Name: Thiocyanic acid, cis-2-carbamoylvinyl ester
• CAS No.: 2807-36-5
• Molecular Formula: C₄H₄N₂OS
• Molecular Weight: 128.155
• NSC Number: 93490
• Mol file: 2807-36-5.mol

Synonyms:Thiocyanic acid, cis-2-carbamoylvinyl ester;NSC93490;2807-36-5;SCHEMBL9220193;NSC-93490;AKOS006349254

Chemical Property of Thiocyanic acid, cis-2-carbamoylvinyl ester

Chemical Property:

• Vapor Pressure: 1.93E-05mmHg at 25°C
• Boiling Point: 362.4°Cat760mmHg
• Flash Point: 173°C
• Density: 1.33g/cm³
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 128.00443393
• Heavy Atom Count: 8
• Complexity: 155

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(=CSC#N)C(=O)N
• Isomeric SMILES: C(=C\SC#N)\C(=O)N

Technology Process of Thiocyanic acid, cis-2-carbamoylvinyl ester

There total 2 articles about Thiocyanic acid, cis-2-carbamoylvinyl ester 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:

2-propynamide (7341-96-0) + ammonium thiocyanate (1147550-11-5) → cis-3-Thiocyano-acrylamid (2807-36-5)

Guidance literature:

With sulfuric acid;

DOI:10.1021/jo01019a037

Reference yield:

2-propynamide (7341-96-0) + ammonium thiocyanate (1147550-11-5) → cis-3-Thiocyano-acrylamid (2807-36-5) + trans-3-Thiocyano-acrylamid (2807-37-6)

Guidance literature:

With sulfuric acid;

DOI:10.1021/jo01019a037

Reference yield:

cis-3-Thiocyano-acrylamid (2807-36-5) + N-ethylisothiazol-3(2H)-one (2682-21-5) → N-Ethyl-3-cyanomercapto-cis-acrylamid (2682-36-2) + 3-oxo-2,3-dihydroisothiazole (1003-07-2)

Guidance literature:

at 25 ℃; Equilibrium constant;

DOI:10.1021/jo01019a037

upstream raw materials:

2-propynamide

ammonium thiocyanate

Downstream raw materials:

N-Ethyl-3-cyanomercapto-cis-acrylamid

3-oxo-2,3-dihydroisothiazole