Phenyl N'-cyano-N-(3-pyridinyl)imidocarbamate

Base Information

• Chemical Name: Phenyl N'-cyano-N-(3-pyridinyl)imidocarbamate
• CAS No.: 155342-87-3
• Molecular Formula: C13H10N4O
• Molecular Weight: 238.249
• European Community (EC) Number: 669-373-0
• Mol file: 155342-87-3.mol

Synonyms:PHENYL N'-CYANO-N-(3-PYRIDINYL)IMIDOCARBAMATE;SCHEMBL7261594;SCHEMBL12782040;SCHEMBL25643400;QGVOAGRCOQNBBO-UHFFFAOYSA-N;AKOS024328376;N-(3-pyridyl)-N'-cyano-O-phenylisourea;N-(3- pyridyl)-N'-cyano-O-phenylisourea

Chemical Property of Phenyl N'-cyano-N-(3-pyridinyl)imidocarbamate

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 238.08546096
• Heavy Atom Count: 18
• Complexity: 327

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OC(=NC2=CN=CC=C2)NC#N

Technology Process of Phenyl N'-cyano-N-(3-pyridinyl)imidocarbamate

There total 3 articles about Phenyl N'-cyano-N-(3-pyridinyl)imidocarbamate 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: 77.0%

pyridin-3-ylamine (462-08-8) + N-cyanodiphenylcarbonimidate (79463-77-7) → 3-cyano-1-(3-pyridinyl)-2-phenylisourea (155342-87-3)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 17h;

DOI:10.1021/jm031018y

Reference yield: 74.0%

2-aminopyridine (504-29-0) + N-cyanodiphenylcarbonimidate (79463-77-7) → 3-cyano-1-(3-pyridinyl)-2-phenylisourea (155342-87-3)

Guidance literature:

In isopropyl alcohol; at 20 ℃; for 24h;

DOI:10.1016/S0968-0896(00)00098-5

Reference yield:

→ 1-cyano-2-phenyl-3-(pyrid-3-yl)-isourea (155342-87-3)

Guidance literature:

In tetrahydrofuran; at 50 ℃; Inert atmosphere;

upstream raw materials:

pyridin-3-ylamine

N-cyanodiphenylcarbonimidate

2-aminopyridine

Downstream raw materials:

(R)-N-Cyano-N'-(2-hydroxy-1-phenylethyl)-N-(3-pyridyl)guanidine