Phenyl N-cyano-N'-(2-cyanoethyl)carbamimidate

Base Information

Chemical Name:Phenyl N-cyano-N'-(2-cyanoethyl)carbamimidate
CAS No.:111971-00-7
Molecular Formula:C11H10N4O
Molecular Weight:214.227
Hs Code.:
DSSTox Substance ID:DTXSID60548817
Mol file:111971-00-7.mol

Synonyms:111971-00-7;Phenyl N-cyano-N'-(2-cyanoethyl)carbamimidate;DTXSID60548817

Suppliers and Price of Phenyl N-cyano-N'-(2-cyanoethyl)carbamimidate

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of Phenyl N-cyano-N'-(2-cyanoethyl)carbamimidate

Chemical Property:

XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:214.08546096
Heavy Atom Count:16
Complexity:326

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)OC(=NCCC#N)NC#N

Technology Process of Phenyl N-cyano-N'-(2-cyanoethyl)carbamimidate

There total 1 articles about Phenyl N-cyano-N'-(2-cyanoethyl)carbamimidate 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: 75.0%

: 79463-77-7
N-cyanodiphenylcarbonimidate

: 352-96-5,1119-28-4
3-aminopropionitrile fumarate salt

: 111971-00-7
N-cyano-N'-(2-cyanoethyl)-O-phenylisourea

Guidance literature:: With triethylamine; In isopropyl alcohol; for 16h;
DOI:10.1021/jo00266a013

Reference yield: 74.0%

: 111971-00-7
N-cyano-N'-(2-cyanoethyl)-O-phenylisourea

: 100-46-9
benzylamine

: 118438-56-5
N-benzyl-N'-cyano-N-(2-cyanoethyl)guanidine

Guidance literature:: In isopropyl alcohol; for 5h; Heating;
DOI:10.1021/jo00266a013

Reference yield:

: 111971-00-7
N-cyano-N'-(2-cyanoethyl)-O-phenylisourea

: 111971-04-1
3-benzyl-2-(cyanoimino)-4-iminohexahydropyrimidine

Guidance literature:: Multi-step reaction with 2 steps

1: 74 percent / propan-2-ol / 5 h / Heating

2: 57 percent / 1 M sodium methoxide / methanol / 16 h

With sodium methylate; In methanol; isopropyl alcohol;
DOI:10.1021/jo00266a013