5-Methylnicotinoyl chloride

Base Information

• Chemical Name: 5-Methylnicotinoyl chloride
• CAS No.: 884494-95-5
• Molecular Formula: C7H6ClNO
• Molecular Weight: 155.584
• Hs Code.: 2933399090
• European Community (EC) Number: 807-514-1
• DSSTox Substance ID: DTXSID50561434
• Wikidata: Q72454979
• Mol file: 884494-95-5.mol

Synonyms:5-METHYLNICOTINOYL CHLORIDE;884494-95-5;5-methylpyridine-3-carbonyl chloride;5-Methylnicotinoylchloride;MFCD05662398;SCHEMBL4196322;DTXSID50561434;OSFVFNVXUQRYIX-UHFFFAOYSA-N;AKOS005259103;5-methylnicotinoyl chloride, AldrichCPR;MS-20222;A842602

Chemical Property of 5-Methylnicotinoyl chloride

Chemical Property:

• Vapor Pressure: 0.021mmHg at 25°C
• Refractive Index: 1.541
• Boiling Point: 251.255 °C at 760 mmHg
• Flash Point: 105.756 °C
• PSA: 29.96000
• Density: 1.241 g/cm³
• LogP: 1.76900
• XLogP3: 1.7
• 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:

98%min ^*data from raw suppliers

5-MethylnicotinoylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CN=C1)C(=O)Cl

Technology Process of 5-Methylnicotinoyl chloride

There total 3 articles about 5-Methylnicotinoyl 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:

5-methylnicotinic acid (3222-49-9) → 5-methyl-nicotinic acid chloride (884494-95-5)

Guidance literature:

With thionyl chloride; Heating;

DOI:10.1021/jo00250a019

Reference yield:

5-methylnicotinic acid hydrochloride (40473-04-9) → 5-methyl-nicotinic acid chloride (884494-95-5)

Guidance literature:

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

DOI:10.1021/jm050293c

Reference yield:

3,5-Lutidine (591-22-0) → 5-methyl-nicotinic acid chloride (884494-95-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 27 percent / potassium permanganate / H₂O / 1.) from RT to 43 deg C, 5 h, 2.) 45 deg C, overnight

2: thionyl chloride / Heating

With potassium permanganate; thionyl chloride; In water;

DOI:10.1021/jo00250a019

upstream raw materials:

5-methylnicotinic acid

5-methylnicotinic acid hydrochloride

3,5-Lutidine

Downstream raw materials:

2-chloro-5-cyano-3-methylpyridine

2-chloro-5-methylpyridine-3-carbonitrile

5-methylpyridinylcarboxamide

(2-Amino-3,5-difluoro-phenyl)-(5-fluoro-pyridin-3-yl)-methanone

Refernces

• 1、 -. "COMPOUNDS AND USE THEREOF IN THE EXPANSION OF STEM CELLS AND/OR PROGENITOR CELLS". Page/Page column 29. . Retrieved 2019/05/22.
• 2、 Li, Xin,Liu, Yan-Hua,Gu, Wen-Jia,Li, Bo,Chen, Fa-Jie,Shi, Bing-Feng. "Copper-mediated hydroxylation of arenes and heteroarenes directed by a removable bidentate auxiliary". supporting information. p. 3904 - 3907. Retrieved 2014/08/18.