3-Methylpicolinic acid hydrochloride

Base Information

• Chemical Name: 3-Methylpicolinic acid hydrochloride
• CAS No.: 123811-72-3
• Molecular Formula: C7H8ClNO2
• Molecular Weight: 173.02
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID40527988
• Mol file: 123811-72-3.mol

Synonyms:123811-72-3;3-METHYLPICOLINIC ACID HYDROCHLORIDE;3-Methylpicolinic acid HCl;3-Methylpyridine-2-carboxylic acid hydrochloride;3-methylpyridine-2-carboxylic acid;hydrochloride;3-methylpyridine-2-carboxylic acid HCl;3-Methylpyridine-2-carboxylic acid, HCl;2-Pyridinecarboxylic acid, 3-methyl-, hydrochloride (1:1);2-Pyridinecarboxylic acid, 3-methyl-, hydrochloride;SCHEMBL5955807;DTXSID40527988;MFCD04114110;AKOS015909555;GS-5949;SB52441;3-METHYLPICOLINICACIDHYDROCHLORIDE;CS-0063141;3-methyl-pyridine-2-carboxylic acid hydrochloride;A805152;3-Methylpyridine-2-carboxylic acid--hydrogen chloride (1/1);3-methylpyridine-2-carboxylic acid hydrochloride;3-METHYLPICOLINIC ACID HCL

Chemical Property of 3-Methylpicolinic acid hydrochloride

Chemical Property:

• PSA: 50.19000
• LogP: 1.08820
• Storage Temp.: Inert atmosphere,Room Temperature
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 173.0243562
• Heavy Atom Count: 11
• Complexity: 136

Purity/Quality:

99% ^*data from raw suppliers

3-MethylpicolinicAcidHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Methylpicolinic acid hydrochloride

There total 2 articles about 3-Methylpicolinic acid hydrochloride 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: 80.0%

2-cyano-3-methylpyridine (20970-75-6) → 3-methylpicolinic acid hydrochloride (123811-72-3)

Guidance literature:

With hydrogenchloride; for 24h; Heating;

DOI:10.1021/jo00289a058

Reference yield:

3-picoline-N-oxide (1003-73-2) → 3-methylpicolinic acid hydrochloride (123811-72-3)

Guidance literature:

Multi-step reaction with 2 steps

1: dimethylcarbamyl chloride / CH₂Cl₂ / 24 h / Ambient temperature

2: 80 percent / 6 N HCl / 24 h / Heating

With hydrogenchloride; N,N-Dimethylcarbamoyl chloride; In dichloromethane;

DOI:10.1021/jo00289a058

Reference yield: 85.0%

3-methylpicolinic acid hydrochloride (123811-72-3) → cis-3-methyl-2-piperidinecarboxylic acid (123719-65-3,147428-62-4)

Guidance literature:

With hydrogen; platinum(IV) oxide; In ethanol; water; at 60 ℃; for 24h; under 3102.9 Torr;

DOI:10.1021/jo00289a058

upstream raw materials:

2-cyano-3-methylpyridine

3-picoline-N-oxide

Downstream raw materials:

cis-3-methyl-2-piperidinecarboxylic acid

(2S,3R)-3-Methyl-piperidine-1,2-dicarboxylic acid 1-tert-butyl ester; compound with dicyclohexyl-amine

3-[5-(3-methyl-piperidin-2-yl)-[1,2,4]oxadiazol-3-yl]-benzonitrile

Refernces