Methyl 2-chloronicotinate

Base Information

• Chemical Name: Methyl 2-chloronicotinate
• CAS No.: 40134-18-7
• Molecular Formula: C7H6ClNO2
• Molecular Weight: 171.583
• Hs Code.: 2933399090
• European Community (EC) Number: 254-805-9
• DSSTox Substance ID: DTXSID80193161
• Nikkaji Number: J258.416F
• Wikidata: Q72489424
• Mol file: 40134-18-7.mol

Synonyms:Methyl 2-chloronicotinate;40134-18-7;Methyl 2-chloropyridine-3-carboxylate;2-Chloronicotinic Acid Methyl Ester;2-Chloro-3-pyridinecarboxylic acid methyl ester;3-PYRIDINECARBOXYLIC ACID, 2-CHLORO-, METHYL ESTER;EINECS 254-805-9;2-Chloro-nicotinic acid methyl ester;MFCD01318629;Methyl 2-Chloro-3-pyridinecarboxylate;methyl chloronicotinate;methyl 2-chloro-nicotinate;SCHEMBL624343;2-chloronicotinic methyl ester;MYGAJZBZLONIBZ-UHFFFAOYSA-;DTXSID80193161;methyl 2chloro-3-pyridinecarboxylate;2-chloronicotinic acid, methyl ester;AB9671;methyl 2-chloropyridin-3-carboxylate;2-chloro-nicotinic acid, methyl ester;AKOS001407647;CS-W022806;PB12739;PS-4875;AC-14858;SY018350;AM20051154;FT-0639613;M2165;Methyl 2-chloropyridine-3-carboxylate, 97%;EN300-26788;A23890;2-chloro-3-pyridinecarboxylic acid, methyl ester;2-chloro-pyridine-3-carboxylic acid methyl ester;AN-584/42206200;J-521996;Z19818624

Chemical Property of Methyl 2-chloronicotinate

Chemical Property:

• Appearance/Colour: white or almost white solid
• Vapor Pressure: 0.0429mmHg at 25°C
• Melting Point: 122-124oC
• Refractive Index: n 20/D 1.537
• Boiling Point: 238.2 °C at 760 mmHg
• PKA: -1.39±0.10(Predicted)
• Flash Point: 97.9 °C
• PSA: 39.19000
• Density: 1.294 g/cm³
• LogP: 1.52160
• Storage Temp.: Keep Cold
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 171.0087061
• Heavy Atom Count: 11
• Complexity: 151

Purity/Quality:

99%min ^*data from raw suppliers

Methyl 2-chloronicotinate ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of Methyl 2-chloronicotinate

There total 22 articles about Methyl 2-chloronicotinate 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%

diazomethane (186581-53-3,908094-01-9,334-88-3) + 2-chloronicotinic acid (2942-59-8) → methyl 2-chloropyridine-3-carboxylate (40134-18-7)

Guidance literature:

In methanol; at -15 ℃; for 4h;

DOI:10.1021/jm00398a021

Reference yield: 99.0%

2-chloronicotinic acid (2942-59-8) + diazomethyl-trimethyl-silane (18107-18-1) → methyl 2-chloropyridine-3-carboxylate (40134-18-7)

Guidance literature:

In tetrahydrofuran; methanol; hexane; at 20 ℃; for 1.5h;

DOI:10.3987/COM-18-S(T)70

Reference yield: 98.0%

2-chloronicotinic acid (2942-59-8) → methyl 2-chloropyridine-3-carboxylate (40134-18-7)

Guidance literature:

With thionyl chloride; triethylamine; In methanol; toluene;

upstream raw materials:

diazomethane

2-chloronicotinic acid

methanol

2-Chloronicotinoyl chloride

Downstream raw materials:

methyl (2-propylamino)nicotinate

2-(3-Methoxy-phenylamino)-nicotinic acid methyl ester

methyl 2-((3-(trifluoromethyl)phenyl)amino)nicotinate

methyl 2-phenylamino-nicotinate

Refernces

• 1、 -. "LIBRARIES OF PYRIDINE-CONTAINING MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME". Paragraph 00221. . Retrieved 2019/01/11.
• 2、 -. "A microwave synthesis 2 - halogenated nicotinate and intermediates thereof". Paragraph 0034; 0035. . Retrieved 2018/05/16.