4-(Isocyanomethyl)pyridine

Base Information

• Chemical Name: 4-(Isocyanomethyl)pyridine
• CAS No.: 58644-56-7
• Molecular Formula: C7H6N2
• Molecular Weight: 118.13600
• DSSTox Substance ID: DTXSID40377960
• Nikkaji Number: J1.789.948A
• Wikidata: Q82167370
• Mol file: 58644-56-7.mol

Synonyms:4-(isocyanomethyl)pyridine;58644-56-7;4-Isocyanomethylpyridine;4-Pyridinylmethyl isocyanide;SCHEMBL6968162;DTXSID40377960;AC8779;MFCD02664554;AKOS001476718;GS-0289;4-(Isocyanomethyl)pyridine, AldrichCPR;SY263029;EN300-702554

Chemical Property of 4-(Isocyanomethyl)pyridine

Chemical Property:

• PSA: 12.89000
• LogP: 0.73160
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 118.053098200
• Heavy Atom Count: 9
• Complexity: 116

Purity/Quality:

97% ^*data from raw suppliers

PN100459:4-Isocyanomethylpyridine 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: [C-]#[N+]CC1=CC=NC=C1

Technology Process of 4-(Isocyanomethyl)pyridine

There total 2 articles about 4-(Isocyanomethyl)pyridine 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:

dicholoromethane + N-(4-picolyl)formamide (56625-05-9) → 4-isocyanomethylpyridin (58644-56-7)

Guidance literature:

With triethylamine; triphenylphosphine; In tetrachloromethane;

Reference yield:

→ 4-isocyanomethylpyridin (58644-56-7)

Guidance literature:

N-(4-Pyridylmethyl)-formamid;

Reference yield: 80.0%

4-[(1-methyl-1H-indol-3-yl)(methylthio)methylene]-2-phenyloxazol-5(4H)-one (1446782-91-7) + 4-isocyanomethylpyridin (58644-56-7) → 2-phenyl-5-(1-methyl-3-indolyl)-4'-(4-pyridyl)-4,5'-bisoxazole (1428426-60-1)

Guidance literature:

With copper(l) iodide; caesium carbonate; In N,N-dimethyl-formamide; at 90 ℃; Inert atmosphere;

DOI:10.1021/jo400317g

upstream raw materials:

N-(4-picolyl)formamide

Downstream raw materials:

2-phenyl-5-(4-methoxyphenyl)-4'-(4-pyridyl)-4,5'-bisoxazole

2-phenyl-5-(3,4-dimethoxyphenyl)-4'-(4-pyridyl)-4,5'-bisoxazole

2-phenyl-5-(2-thienyl)-4'-(4-pyridyl)-4,5'-bisoxazole

2-phenyl-5-(1-methyl-2-pyrrolyl)-4'-(4-pyridyl)-4,5'-bisoxazole

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