Methyl 2-chloro-6-methylisonicotinate

Base Information

• Chemical Name: Methyl 2-chloro-6-methylisonicotinate
• CAS No.: 3998-90-1
• Molecular Formula: C8H8ClNO2
• Molecular Weight: 185.61
• Hs Code.: 2933399090
• European Community (EC) Number: 627-727-1
• DSSTox Substance ID: DTXSID60374931
• Nikkaji Number: J2.414.762B
• Wikidata: Q72489327
• Mol file: 3998-90-1.mol

Synonyms:3998-90-1;Methyl 2-chloro-6-methylpyridine-4-carboxylate;Methyl 2-chloro-6-methylisonicotinate;Methyl 2-chloro-6-picoline-4-carboxylate;2-chloro-6-picoline-4-carboxylic acid methyl ester;MFCD04038391;2-Chloro-6-methylpyridine-4-carboxylic Acid Methyl Ester;4-Pyridinecarboxylic acid, 2-chloro-6-methyl-, methyl ester;SCHEMBL1179017;AMY7977;DTXSID60374931;BDWMGYZSQKGUFA-UHFFFAOYSA-N;CS-D0956;CL0088;AKOS006340214;AB17061;PS-6097;Methyl2-chloro-6-picoline-4-carboxylate;AC-23148;SY006033;FT-0650046;M2239;A18735;EN300-123134;methyl-2-chloro-6-methylpyridine-4-carboxylate;2-chloro-6-methyl-isonicotinic acid methyl ester;2-Chloro-6-methylisonicotinic Acid Methyl Ester;methyl 2-chloro-6-methyl-pyridine-4-carboxylate;J-521993;Methyl 2-chloro-6-methylpyridine-4-carboxylate, 97%;Z1203162085

Chemical Property of Methyl 2-chloro-6-methylisonicotinate

Chemical Property:

• Vapor Pressure: 0.00673mmHg at 25°C
• Melting Point: 58-62 °C(lit.)
• Refractive Index: 1.528
• Boiling Point: 270.7 °C at 760 mmHg
• PKA: -0.19±0.10(Predicted)
• Flash Point: 117.5 °C
• PSA: 39.19000
• Density: 1.247 g/cm³
• LogP: 1.83000
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 185.0243562
• Heavy Atom Count: 12
• Complexity: 174

Purity/Quality:

99% ^*data from raw suppliers

Methyl 2-Chloro-6-methylisonicotinate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 37/38-41-43
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=N1)Cl)C(=O)OC
• Uses: Methyl 2-Chloro-6-methylisonicotinate is used in the synthesis of pyridine derivatives as antitubercular agents

Technology Process of Methyl 2-chloro-6-methylisonicotinate

There total 14 articles about Methyl 2-chloro-6-methylisonicotinate 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-chloro-6-methylpyridine-4-carboxylic acid (25462-85-5) + oxalyl dichloride (79-37-8) → 2-chloro-6-methyl-isonicotinic acid methyl ester (3998-90-1)

Guidance literature:

In methanol; dichloromethane;

Reference yield: 100.0%

4-(4-chloro-2-fluoroanilino)-6-methoxy-7-(2-(1-methylimidazol-2-ylthio)ethoxy)quinazoline → 2-chloro-6-methyl-isonicotinic acid methyl ester (3998-90-1)

Guidance literature:

4-(4-chloro-2-fluoroanilino)-6-methoxy-7-(2-(1-methylimidazol-2-ylthio)ethoxy)quinazoline; With oxalyl dichloride; In dichloromethane; for 2h;

In methanol; for 1h;

Reference yield: 92.0%

methanol (67-56-1) + 2-chloro-6-methylpyridine-4-carboxylic acid (25462-85-5) → 2-chloro-6-methyl-isonicotinic acid methyl ester (3998-90-1)

Guidance literature:

With hydrogenchloride; for 6h; Heating;

DOI:10.1016/j.tetlet.2006.12.012

upstream raw materials:

2-hydroxy-6-methylpyridine-4-carboxylic acid

methyl 6-methyl-2-hydroxypyridine-4-carboxylate

methanol

2-chloro-6-methylpyridine-4-carboxylic acid

Downstream raw materials:

2-chloro-6-methylpyridine-4-carboxylic acid

methyl 2-methylisonicotinate

dimethyl 6,6'-dimethyl-2,2'-bipyridine-4,4'-dicarboxylate

(2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridyl]methyl]-2-methylpiperidine-4-carboxylic acid

Refernces

• 1、 Hatano, Mayuka,Inomata, Tomohiko,Kawai, Yuya,Kitagawa, Takuma,Masuda, Hideki,Matsunaga, Ayaka,Ozawa, Tomohiro,Wasada-Tsutsui, Yuko. "Synthesis and physico-chemical properties of homoleptic copper(I) complexes with asymmetric ligands as a dssc dye". . . Retrieved 2021/11/27.
• 2、 -. "AROMATIC COMPOUNDS AND METAL COMPLEXES THEREOF". . . Retrieved 2012/12/13.