Methyl 4-(chlorocarbonyl)pyridine-2-carboxylate

Base Information

• Chemical Name: Methyl 4-(chlorocarbonyl)pyridine-2-carboxylate
• CAS No.: 135054-67-0
• Molecular Formula: C8H6ClNO3
• Molecular Weight: 199.59114
• DSSTox Substance ID: DTXSID70601568
• Wikidata: Q82498314
• Mol file: 135054-67-0.mol

Synonyms:135054-67-0;2-Pyridinecarboxylic acid, 4-(chlorocarbonyl)-, methyl ester (9CI);methyl 4-carbonochloridoylpyridine-2-carboxylate;Methyl 4-(chlorocarbonyl)pyridine-2-carboxylate;SCHEMBL8868177;DTXSID70601568

Chemical Property of Methyl 4-(chlorocarbonyl)pyridine-2-carboxylate

Chemical Property:

• Boiling Point: 327.6±27.0 °C(Predicted)
• PKA: -1.86±0.10(Predicted)
• PSA: 56.26000
• Density: 1.358±0.06 g/cm3(Predicted)
• LogP: 1.24720
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 199.0036207
• Heavy Atom Count: 13
• Complexity: 219

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=NC=CC(=C1)C(=O)Cl

Technology Process of Methyl 4-(chlorocarbonyl)pyridine-2-carboxylate

There total 2 articles about Methyl 4-(chlorocarbonyl)pyridine-2-carboxylate 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:

pyridine-2,4-dicarboxylic acid 2-methyl ester (24195-10-6) → methyl 4-chlorocarbonylpyridine-2-carboxylate (135054-67-0)

Guidance literature:

With thionyl chloride; for 1h; Reflux;

Reference yield:

→ methyl 4-chlorocarbonylpyridine-2-carboxylate (135054-67-0)

Guidance literature:

With benzotriazol-1-ol; In dichloromethane; N,N-dimethyl-formamide; at 20 ℃; for 0.0833333h;

In dichloromethane; N,N-dimethyl-formamide; at 75 ℃; for 0.333333h; Microwave irradiation;

Reference yield:

N-(3,5-dimethylphenyl)-6-[(2R,4R)-2-methyl-4-piperidyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine + methyl 4-chlorocarbonylpyridine-2-carboxylate (135054-67-0) → methyl 4-[(2R,4R)-4-[2-(3,5-dimethylanilino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-methylpiperidine-1-carbonyl]pyridine-2-carboxylate

Guidance literature:

With triethylamine; In dichloromethane; at 0 ℃; for 0.5h;

upstream raw materials:

pyridine-2,4-dicarboxylic acid 2-methyl ester

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