2-chloro-N-methylisonicotinamide

Base Information

• Chemical Name: 2-chloro-N-methylisonicotinamide
• CAS No.: 131418-11-6
• Molecular Formula: C7H7ClN2O
• Molecular Weight: 170.59600
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID50568468
• Nikkaji Number: J490.855D
• Wikidata: Q82454730
• Mol file: 131418-11-6.mol

Synonyms:131418-11-6;2-chloro-N-methylisonicotinamide;N-Methyl 2-chloroisonicotinamide;2-chloro-N-methylpyridine-4-carboxamide;2-Chloro-N-methyl-isonicotinamide;4-Pyridinecarboxamide, 2-chloro-N-methyl-;MFCD09862946;TRIETHYLGERMANIUMHYDRIDE;SCHEMBL5743063;DTXSID50568468;HZCPKEZVYGEGEN-UHFFFAOYSA-N;AKOS000205947;SB53028;2-Chloro-N-methyl-4-pyridinecarboxamide;SY082114;TS-02320;2-Chloro-N-methylisonicotinamide, AldrichCPR;CS-0186623;D97300;EN300-254446;Z246898914

Chemical Property of 2-chloro-N-methylisonicotinamide

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 330.677oC at 760 mmHg
• Flash Point: 153.789oC
• PSA: 41.99000
• Density: 1.264g/cm3
• LogP: 1.48550
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 170.0246905
• Heavy Atom Count: 11
• Complexity: 151

Purity/Quality:

98%Min ^*data from raw suppliers

N-Methyl2-chloroisonicotinamide ^*data from reagent suppliers

Safty Information:

• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC(=O)C1=CC(=NC=C1)Cl

Technology Process of 2-chloro-N-methylisonicotinamide

There total 3 articles about 2-chloro-N-methylisonicotinamide 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:

2-chloropyridine-4-carbonyl chloride (65287-34-5) + methylamine (74-89-5) → 2-chloro-N-methylisonicotinamide (131418-11-6)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 0.5h;

Reference yield:

2-chloroisonicotinic acid, (6313-54-8) + oxalyl dichloride (79-37-8) → 2-chloro-N-methylisonicotinamide (131418-11-6)

Guidance literature:

With methylamine; In tetrahydrofuran; ethanol; N,N-dimethyl-formamide;

Reference yield:

2-chloroisonicotinic acid, (6313-54-8) → 2-chloro-N-methylisonicotinamide (131418-11-6)

Guidance literature:

Multi-step reaction with 2 steps

1: N,N-dimethyl-formamide; oxalyl dichloride / dichloromethane / 1 h / Reflux

2: triethylamine / dichloromethane / 0.5 h / 20 °C

With oxalyl dichloride; triethylamine; N,N-dimethyl-formamide; In dichloromethane;

upstream raw materials:

2-chloroisonicotinic acid,

oxalyl dichloride

2-chloropyridine-4-carbonyl chloride

methylamine

Downstream raw materials:

2,3-Dichloro-N-methyl-isonicotinamide

2-chloro-3,N-dimethyl-isonicotinamide

Refernces

• 1、 -. "Tyrosine kinase inhibitors". . . Retrieved 2008/06/13.