Ethyl 2-chloro-3-methylisonicotinate

Base Information

• Chemical Name: Ethyl 2-chloro-3-methylisonicotinate
• CAS No.: 301666-92-2
• Molecular Formula: C9H10 Cl N O2
• Molecular Weight: 199.637
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID30376245
• Wikidata: Q72454943
• Mol file: 301666-92-2.mol

Synonyms:Ethyl 2-chloro-3-methylisonicotinate;301666-92-2;ethyl 2-chloro-3-methylpyridine-4-carboxylate;2-Chloro-3-methyl-isonicotinic acid ethyl ester;2-Chloro-3-methylpyridine-4-carboxylic acid ethyl ester;MFCD03411665;4-Pyridinecarboxylic acid, 2-chloro-3-methyl-, ethyl ester;SCHEMBL231051;DTXSID30376245;XYEFRKCXSJVAMO-UHFFFAOYSA-N;BCP07165;Ethyl2-chloro-3-methylisonicotinate;AKOS006278080;SB36469;AS-54840;SY019019;FT-0611729;W10461;2-CHLORO-3-METHYLPYRIDINE-4-CARBOXYLICACIDETHYLESTER

Chemical Property of Ethyl 2-chloro-3-methylisonicotinate

Chemical Property:

• Vapor Pressure: 0.00338mmHg at 25°C
• Refractive Index: 1.522
• Boiling Point: 282.3°Cat760mmHg
• PKA: -0.50±0.10(Predicted)
• Flash Point: 124.5°C
• PSA: 39.19000
• Density: 1.207g/cm³
• LogP: 2.22010
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 199.0400063
• Heavy Atom Count: 13
• Complexity: 187

Purity/Quality:

97% ^*data from raw suppliers

Ethyl2-Chloro-3-methylisonicotinate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(C(=NC=C1)Cl)C
• Uses: Ethyl 2-Chloro-3-methylisonicotinate is used as a reagent in the synthesis of thiazolyl-pyridin-amine derivatives which can be used as KDR vascular endothelial growth factor receptor (VEGFR) inhibitors.

Technology Process of Ethyl 2-chloro-3-methylisonicotinate

There total 1 articles about Ethyl 2-chloro-3-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:

3-Methyl-1-oxy-isonicotinic acid ethyl ester (301666-87-5) → 2-chloro-3-methyl-4-pyridine carboxylic acid ethyl-ester (301666-92-2)

Guidance literature:

Reference yield:

2-chloro-3-methyl-4-pyridine carboxylic acid ethyl-ester (301666-92-2) + 3-trifluoromethylaniline (98-16-8) → C16H15F3N2O2 (1349114-58-4)

Guidance literature:

With caesium carbonate; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; CyJohnPhos; In toluene; at 110 ℃; for 12h; Inert atmosphere;

Reference yield:

2-chloro-3-methyl-4-pyridine carboxylic acid ethyl-ester (301666-92-2) + C13H19NO (1312590-38-7) → C22H28N2O3 (1312780-01-0)

Guidance literature:

With sodium t-butanolate; palladium diacetate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; In 1,2-dimethoxyethane; for 12h; Reflux;

upstream raw materials:

3-Methyl-1-oxy-isonicotinic acid ethyl ester

Downstream raw materials:

C₁₆H₁₆Cl₂N₂O₂

C₂₂H₂₈N₂O₃

C₁₆H₁₅F₃N₂O₂

4-chloro-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-1-one

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