2-Methylpyridine-3-carbonyl chloride

Base Information

• Chemical Name: 2-Methylpyridine-3-carbonyl chloride
• CAS No.: 169229-06-5
• Molecular Formula: C7H6ClNO
• Molecular Weight: 155.58200
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID30512585
• Wikidata: Q82371910
• Mol file: 169229-06-5.mol

Synonyms:169229-06-5;2-methylpyridine-3-carbonyl chloride;2-Methylnicotinoyl chloride;3-Pyridinecarbonyl chloride, 2-methyl- (9CI);2-METHYL-3-PYRIDINECARBONYL CHLORIDE;2-methyl nicotinoyl chloride;methylnicotinoyl chloride;2-Methylnicotinoylchloride;2-methyl nicotinic chloride;2-methyl-nicotinoyl chloride;SCHEMBL724087;2-methylnicotinic acid chloride;DTXSID30512585;UYBSZBKNIIWFMV-UHFFFAOYSA-N;MFCD10703529;AKOS006303446;2-methylpyridine-3-carboxylic acid chloride;FT-0766388;F78636;J-510069

Chemical Property of 2-Methylpyridine-3-carbonyl chloride

Chemical Property:

• PSA: 29.96000
• LogP: 1.76900
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 155.0137915
• Heavy Atom Count: 10
• Complexity: 138

Purity/Quality:

99%min ^*data from raw suppliers

2-Methylnicotinoyl chloride 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC=N1)C(=O)Cl

Technology Process of 2-Methylpyridine-3-carbonyl chloride

There total 3 articles about 2-Methylpyridine-3-carbonyl chloride 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: 100.0%

2-methylnicotinic acid (3222-56-8) → 2-methylnicotinoyl chloride (169229-06-5)

Guidance literature:

With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 20 ℃; for 18h;

Reference yield:

potassium 2-methylnicotinate → 2-methylnicotinoyl chloride (169229-06-5)

Guidance literature:

With oxalyl dichloride; In benzene; at 25 ℃; for 19h;

DOI:10.1002/jhet.5570430525

Reference yield:

methyl 2-methylnicotinate (65719-09-7) → 2-methylnicotinoyl chloride (169229-06-5)

Guidance literature:

Multi-step reaction with 2 steps

1: KOH / methanol; H₂O / 6 h / 25 °C

2: (COCl)2 / benzene / 19 h / 25 °C

With potassium hydroxide; oxalyl dichloride; In methanol; water; benzene;

DOI:10.1002/jhet.5570430525

upstream raw materials:

2-methylnicotinic acid

methyl 2-methylnicotinate

Downstream raw materials:

4-bromo-1-chloro-1,6-naphthyridine

1,2,3,4-tetrahydro-1,6-naphthyridine-5(6H)-one

8-bromo-5,6-dihydro-1,6-naphthyridin-5-one

1,6-naphthyridine-5(6H)-one

Refernces

• 1、 -. "BICYCLIC HYDROXAMIC ACIDS USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY". Page/Page column 92. . Retrieved 2017/07/14.
• 2、 -. "ANTI-FIBROTIC PYRIDINONES". Paragraph 0366. . Retrieved 2015/11/02.