6-chloro-N-methylnicotinamide

Base Information

• Chemical Name: 6-chloro-N-methylnicotinamide
• CAS No.: 54189-82-1
• Molecular Formula: C7H7ClN2O
• Molecular Weight: 170.598
• Hs Code.: 2933399090
• European Community (EC) Number: 611-107-2
• DSSTox Substance ID: DTXSID30494337
• Nikkaji Number: J921.760F
• Wikidata: Q82341624
• Mol file: 54189-82-1.mol

Synonyms:6-chloro-N-methylnicotinamide;54189-82-1;6-Chloro-N-methyl-nicotinamide;6-chloro-N-methylpyridine-3-carboxamide;MFCD08460991;3-Pyridinecarboxamide, 6-chloro-N-methyl-;SCHEMBL103123;DTXSID30494337;DEYOMDZKXMQLCF-UHFFFAOYSA-N;6-chloro-nicotinic acid N-methylamide;AKOS000200516;AS-8415;CS-W006347;6-chloro-N-methyl-3-pyridinecarboxamide;2-Chloro-5-(methylaminocarbonyl)pyridine;SY107933;EN300-29384;N11734;A870525;Z32016558

Chemical Property of 6-chloro-N-methylnicotinamide

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 152.8-153.4 °C(Solv: dichloromethane (75-09-2))
• Refractive Index: 1.548
• Boiling Point: 347.593 °C at 760 mmHg
• PKA: 13.85±0.46(Predicted)
• Flash Point: 164.019 °C
• PSA: 41.99000
• Density: 1.264 g/cm³
• LogP: 1.48550
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.1
• 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:

97% ^*data from raw suppliers

6-Chloro-N-methyl nicotinamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC(=O)C1=CN=C(C=C1)Cl

Technology Process of 6-chloro-N-methylnicotinamide

There total 7 articles about 6-chloro-N-methylnicotinamide 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: 99.1%

6-Chloronicotinic acid methyl ester (73781-91-6) → 6-chloro-N-methylnicotinamide (54189-82-1)

Guidance literature:

With methylamine; In methanol; at 0 - 20 ℃; for 4h;

Reference yield: 99.1%

6-Chloronicotinic acid methyl ester (73781-91-6) + methylamine (74-89-5) → 6-chloro-N-methylnicotinamide (54189-82-1)

Guidance literature:

In methanol; water; at 0 - 20 ℃; for 4h;

DOI:10.1039/c4md00536h

Reference yield: 92.0%

6-Chloronicotinoyl chloride (58757-38-3) + methylamine (74-89-5) → 6-chloro-N-methylnicotinamide (54189-82-1)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 20 ℃; for 3.5h; Cooling with ice;

upstream raw materials:

6-Chloronicotinoyl chloride

methylamine hydrochloride

6-Chloro-3-pyridinecarboxylic acid

methylamine

Downstream raw materials:

6-(4-methylpiperazin-1-yl)-4-(o-tolyl)-4,5-dihydropyridine-3-carboxylic acid methylamide

6-[(3-cyclobutyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)oxy]-N-methyl-3-pyridinecarboxamide

6-(2-dibenzylamino-ethoxy)-N-methyl-nicotinamide