2-Chloro-N-methylnicotinamide

Base Information

• Chemical Name: 2-Chloro-N-methylnicotinamide
• CAS No.: 52943-20-1
• Molecular Formula: C7H7ClN2O
• Molecular Weight: 170.6
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID20484540
• Nikkaji Number: J2.122.272K
• Wikidata: Q82322993
• Mol file: 52943-20-1.mol

Synonyms:2-Chloro-N-methylnicotinamide;52943-20-1;2-chloro-N-methylpyridine-3-carboxamide;Chloro-N-methyl-nicotinamide;N-methyl-2-chloronicotinamide;N-methyl-2 -chloronicotinamide;SCHEMBL1467988;DTXSID20484540;AVRKRDJKETWGRR-UHFFFAOYSA-N;MFCD08691934;AKOS000162695;SB52632;LS-03759;2-Chloro-N-methylnicotinamide, AldrichCPR;CS-0197261;FT-0681484;EN300-51175;A870865;Z32016406

Chemical Property of 2-Chloro-N-methylnicotinamide

Chemical Property:

• Vapor Pressure: 0.00015mmHg at 25°C
• Refractive Index: 1.547
• Boiling Point: 332°C at 760 mmHg
• PKA: 13.54±0.46(Predicted)
• Flash Point: 154.6°C
• PSA: 41.99000
• Density: 1.264g/cm³
• LogP: 1.48550
• Storage Temp.: 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:

98%min ^*data from raw suppliers

2-Chloro-N-methylnicotinamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC(=O)C1=C(N=CC=C1)Cl
• Uses: 2-Chloro-N-methylnicotinamide

Technology Process of 2-Chloro-N-methylnicotinamide

There total 5 articles about 2-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: 88.0%

2-Chloronicotinoyl chloride (49609-84-9) + methylamine (74-89-5) → 2-chloro-N-methylnicotinamide (52943-20-1)

Guidance literature:

In tetrahydrofuran;

Reference yield: 87.71%

2-chloronicotinic acid (2942-59-8) + methylamine (74-89-5) → 2-chloro-N-methylnicotinamide (52943-20-1)

Guidance literature:

2-chloronicotinic acid; With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 20 ℃;

methylamine; at 20 ℃;

Reference yield:

2-Chloronicotinoyl chloride (49609-84-9) + methylamine hydrochloride (593-51-1) → 2-chloro-N-methylnicotinamide (52943-20-1)

Guidance literature:

With pyridine; In chloroform; at 50 ℃; for 2h; Yield given;

upstream raw materials:

2-Chloronicotinoyl chloride

methylamine hydrochloride

methylamine

2-chloronicotinic acid

Refernces

• 1、 -. "PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF". Paragraph 0937; 0935. . Retrieved 2018/05/24.
• 2、 Elworthy, Todd R.,Ford, Anthony P. D. W.,Bantle, Gary W.,Morgans Jr., David J.,Ozer, Rachel S.,Palmer, Wylie S.,Repke, David B.,Romero, Magarita,Sandoval, Leticia,Sjogren, Eric B.,Talamás, Francisco X.,Vazquez, Alfredo,Wu, Helen,Arredondo, Nicolas F.,Blue Jr., David R.,DeSousa, Andrea,Gross, Lisa M.,Kava, M. Shannon,Lesnick, John D.,Vimont, Rachel L.,Williams, Timothy J.,Zhu, Quan-Ming,Pfister, Jürg R.,Clarke, David E.. "N-Arylpiperazinyl-N'-propylamino derivatives of heteroaryl amides as functional uroselective α1-adrenoceptor antagonists". . p. 2674 - 2687. Retrieved 2007/10/03.