Bis-cyanoacetamide

Base Information

• Chemical Name: Bis-cyanoacetamide
• CAS No.: 65889-64-7
• Molecular Formula: C₄H₂N₃O*K
• Molecular Weight: 147.178
• NSC Number: 522119
• DSSTox Substance ID: DTXSID00331346
• Nikkaji Number: J1.457.576F
• Wikidata: Q82096477
• Mol file: 65889-64-7.mol

Synonyms:65889-64-7;bis-cyanoacetamide;NSC522119;carbamyl-dicyanomethane;SCHEMBL5381405;DTXSID00331346;AKOS006350885;NSC-522119

Chemical Property of Bis-cyanoacetamide

Chemical Property:

• Vapor Pressure: 7.9E-05mmHg at 25°C
• Boiling Point: 341.7°C at 760 mmHg
• Flash Point: 160.5°C
• Density: 1.322g/cm³
• XLogP3: -1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 109.027611728
• Heavy Atom Count: 8
• Complexity: 174

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(#N)C(C#N)C(=O)N

Technology Process of Bis-cyanoacetamide

There total 2 articles about Bis-cyanoacetamide 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: 94.0%

potassium cyanate (590-28-3) + malononitrile (109-77-3) → dicyano-acetic acid amide; potassium-compound (65889-64-7)

Guidance literature:

In N,N-dimethyl-formamide; Heating;

DOI:10.1021/jo000293e

Reference yield:

potassium cyanate (590-28-3) + malononitrile (109-77-3) → carbamoyldicyanomethanide potassium salt (65889-64-7,83356-16-5)

Guidance literature:

In N,N-dimethyl-formamide; for 1h; Heating;

DOI:10.1107/S0108270103026568

Reference yield: 80.0%

carbamoyldicyanomethanide potassium salt (65889-64-7,83356-16-5) + triphenyl-phosphine oxide ; compound with cobalt (II)-chloride → Co(2+)*2{(NC)2CC(O)NH2}(1-)*2(C6H5)3PO = Co{(NC)2C2ONH2}2*2(C6H5)3PO

Guidance literature:

In water; acetone; aq. acetone soln. of CoCl2*2(C6H5)3PO mixed with aq. soln. of K(NC)2CCONH2; filtered; washed (water, acetone, ether); dried in vac. desiccator to const. wt.;

upstream raw materials:

potassium cyanate

malononitrile

Downstream raw materials:

3-amino-2-cyano-3-(3-nitrophenylamino)propenamide