Pyridine-3-carbonyl isocyanate

Base Information

Chemical Name:Pyridine-3-carbonyl isocyanate
CAS No.:26971-98-2
Molecular Formula:C7H4 N2 O2
Molecular Weight:148.121
Hs Code.:2933399090
DSSTox Substance ID:DTXSID50551214
Mol file:26971-98-2.mol

Synonyms:Pyridine-3-carbonyl isocyanate;26971-98-2;nicotinoyl isocyanate;SCHEMBL6162241;DTXSID50551214;AKOS022299908

Suppliers and Price of Pyridine-3-carbonyl isocyanate

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 3 raw suppliers

Chemical Property of Pyridine-3-carbonyl isocyanate

Chemical Property:

PSA：59.39000
LogP:0.55760
XLogP3:1.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:148.027277375
Heavy Atom Count:11
Complexity:197

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CN=C1)C(=O)N=C=O

Technology Process of Pyridine-3-carbonyl isocyanate

There total 4 articles about Pyridine-3-carbonyl isocyanate 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:

: 79-37-8
oxalyl dichloride

: 98-92-0,1255150-40-3
nicotinamide

: 26971-98-2
nicotinoyl isocyanate

Guidance literature:: In dichloromethane; at 0 ℃; for 24h; Reflux;
DOI:10.1016/j.bioorg.2013.06.007

Reference yield:

: 98-92-0,1255150-40-3
nicotinamide

: 26971-98-2
nicotinoyl isocyanate

Guidance literature:: With oxalyl dichloride; In 1,2-dichloro-benzene; at 0 - 60 ℃; for 1.25h; Reflux;
DOI:10.1016/j.bmcl.2013.09.067

Reference yield:

: 2-(4-hydroxyphenyl)-2-oxoethyl nicotinoylcarbamate

: 26971-98-2
nicotinoyl isocyanate

Guidance literature:: Multi-step reaction with 2 steps

1: acetonitrile; water / pH 7 / Irradiation

2: 1,2-dichloro-ethane / 6 h / 0 °C / Inert atmosphere; Reflux

In water; 1,2-dichloro-ethane; acetonitrile;
DOI:10.1021/acs.orglett.8b00697