2-Pyridinylcyanamide

Base Information

• Chemical Name: 2-Pyridinylcyanamide
• CAS No.: 21418-21-3
• Molecular Formula: C6H5 N3
• Molecular Weight: 119.126
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID80494680
• Nikkaji Number: J1.739.574B
• Wikidata: Q82342226
• Mol file: 21418-21-3.mol

Synonyms:2-pyridinylcyanamide;21418-21-3;Pyridin-2-ylcyanamide;Cyanamide, 2-pyridinyl-(9CI);2-(CYANOAMINO)PYRIDINE;cyanoaminopyridine;Cyanamide,2-pyridinyl-(9ci);SCHEMBL1705211;SCHEMBL9838835;DTXSID80494680;FBUHFQUZAYMTOM-UHFFFAOYSA-N;[(pyridin-2-yl)amino]formonitrile;AKOS006307570

Chemical Property of 2-Pyridinylcyanamide

Chemical Property:

• Vapor Pressure: 0.097mmHg at 25°C
• Boiling Point: 223.361°C at 760 mmHg
• Flash Point: 88.886°C
• PSA: 48.71000
• Density: 1.247g/cm³
• LogP: 1.04758
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 119.048347172
• Heavy Atom Count: 9
• Complexity: 124

Purity/Quality:

98% ^*data from raw suppliers

2-PYRIDINYLCYANAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=NC(=C1)NC#N

Technology Process of 2-Pyridinylcyanamide

There total 3 articles about 2-Pyridinylcyanamide 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: 48.0%

CYANAMID (420-04-2) + N-fluoropyridinium triflate (107263-95-6) → 2-methoxypyridine (1628-89-3) + N-(pyridin-2-yl)cyanamide (21418-21-3)

Guidance literature:

With sodium methylate; In methanol; a.) -78 deg C, 1 h, b.) -78 deg C - 23 deg C, 1 h, c.) 23 deg C, 2 h;

DOI:10.1002/jhet.5570300530

Reference yield: 48.0%

CYANAMID (420-04-2) + 1-fluoro-pyridinium tetrafluoroborate (107264-09-5) → 2-methoxypyridine (1628-89-3) + N-(pyridin-2-yl)cyanamide (21418-21-3)

Guidance literature:

With sodium methylate; In methanol; a.) -78 deg C, 1 h, b.) -78 deg C - 23 deg C, 1 h, c.) 23 deg C, 2 h;

DOI:10.1002/jhet.5570300530

Reference yield: 34.0%

ethyl N-(pyridin-2-yl)formimidate (33842-49-8) → N-(pyridin-2-yl)cyanamide (21418-21-3) + s-triazolo(1,5-a)pyridine (274-85-1)

Guidance literature:

With hydroxylamine-O-sulfonic acid; In pyridine; methanol; for 1h; Ambient temperature;

DOI:10.1021/jo00328a028

upstream raw materials:

CYANAMID

N-fluoropyridinium triflate

1-fluoro-pyridinium tetrafluoroborate

ethyl N-(pyridin-2-yl)formimidate

Downstream raw materials:

1-(2-Chloro-benzyl)-1H-pyridin-(2E)-ylidene-cyanamide

1-(2,6-Dichloro-benzyl)-1H-pyridin-(2E)-ylidene-cyanamide

2-amino-s-triazolo-<1,5-a>-pyridne