2-Chloro-N-methoxy-N-methylnicotinamide

Base Information

• Chemical Name: 2-Chloro-N-methoxy-N-methylnicotinamide
• CAS No.: 488149-34-4
• Molecular Formula: C8H9ClN2O2
• Molecular Weight: 200.625
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID80437037
• Wikidata: Q82252393
• Mol file: 488149-34-4.mol

Synonyms:2-CHLORO-N-METHOXY-N-METHYLNICOTINAMIDE;488149-34-4;2-chloro-N-methoxy-N-methylpyridine-3-carboxamide;N-Methoxy-N-methyl 2-chloronicotinamide;MFCD11847245;2-Chloro-N-methoxy-N-methyl-nicotinamide;SCHEMBL257468;DTXSID80437037;KGZJITSOJPZKSG-UHFFFAOYSA-N;CL0273;AKOS008953007;ME-0722;N-Methoxy-N-methyl-2-chloronicotinamide;AM803947;SY016963;CS-0082376;FT-0682839;A913997;J-509148

Chemical Property of 2-Chloro-N-methoxy-N-methylnicotinamide

Chemical Property:

• Melting Point: 85～87℃
• Boiling Point: 365.1±27.0 °C(Predicted)
• PKA: -1.51±0.10(Predicted)
• PSA: 42.43000
• Density: 1.283±0.06 g/cm3(Predicted)
• LogP: 1.36840
• Storage Temp.: Refrigerated.
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 200.0352552
• Heavy Atom Count: 13
• Complexity: 189

Purity/Quality:

98%min ^*data from raw suppliers

N-Methoxy-N-methyl2-chloronicotinamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Chloro-N-methoxy-N-methylnicotinamide

There total 8 articles about 2-Chloro-N-methoxy-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: 93.0%

2-chloronicotinic acid (2942-59-8) + N,O-dimethylhydroxylamine*hydrochloride (6638-79-5) → 2-chloro-N-methoxy-N-methyl-pyridine-3-carboxamide (488149-34-4)

Guidance literature:

With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 25 ℃; for 72h;

DOI:10.1021/ml300175c

Reference yield: 93.0%

2-chloronicotinic acid (2942-59-8) + N,0-dimethylhydroxylamine (1117-97-1) → 2-chloro-N-methoxy-N-methyl-pyridine-3-carboxamide (488149-34-4)

Guidance literature:

With pyridine; 1,2-dichloro-ethane; In tetrahydrofuran; at 0 - 20 ℃; for 24h;

DOI:10.1016/j.ejmech.2012.09.034

Reference yield: 83.0%

2-Chloronicotinoyl chloride (49609-84-9) + Ν,Ο-dimethylhydroxylamine hydrochloride → 2-chloro-N-methoxy-N-methyl-pyridine-3-carboxamide (488149-34-4)

Guidance literature:

With bicarbonate; In tetrahydrofuran; at 20 ℃; for 0.5h;

upstream raw materials:

N,0-dimethylhydroxylamine

2-chloronicotinic acid

N,O-dimethylhydroxylamine*hydrochloride

2-Chloronicotinoyl chloride

Downstream raw materials:

1-(2-chloropyridin-3-yl)-3-(3-fluorophenyl)prop-2-yn-1-one

3-(4-chlorophenyl-2-chloropyrid-3-ylmethoxy)azetidine

VER-156085

VER-156084

Refernces

• 1、 -. "THIAZOLE DERIVATIVES FOR THE TREATMENT OF ANIMAL TRYPANOSOMIASIS". Page/Page column 73; 74. . Retrieved 2016/10/04.
• 2、 -. "CONDENSED HETEROCYCLIC COMPOUND". Paragraph 0489-0491. . Retrieved 2014/01/08.