Ethyl 2-chloroisonicotinate

Base Information

• Chemical Name: Ethyl 2-chloroisonicotinate
• CAS No.: 54453-93-9
• Molecular Formula: C8H8ClNO2
• Molecular Weight: 185.61
• Hs Code.: 29339900
• DSSTox Substance ID: DTXSID00376595
• Nikkaji Number: J2.623.099C
• Wikidata: Q72473652
• ChEMBL ID: CHEMBL2251616
• Mol file: 54453-93-9.mol

Synonyms:ethyl 2-chloroisonicotinate;54453-93-9;ethyl 2-chloropyridine-4-carboxylate;2-Chloropyridine-4-carboxylic acid ethyl ester;Ethyl2-chloroisonicotinate;2-Chloroisonicotinic acid ethyl ester;MFCD04114259;4-Pyridinecarboxylic acid, 2-chloro-, ethyl ester;Ethyl 2-chloro-4-pyridinecarboxylate;ethyl 2-chioroisonicotinate;SCHEMBL1425666;CHEMBL2251616;DTXSID00376595;IGRLNCOFYMWKBU-UHFFFAOYSA-N;ethyl2-chloropyridine-4-carboxylate;AR3365;BBL018011;STK503455;AKOS004910655;2-Chloro-isonicotinic Acid Ethyl Ester;CS-W019303;SY016470;TS-02587;A7908;AM20061701;ETHYL-2-CHLOROPYRIDINE-4-CARBOXYLATE;FT-0647687;EN300-1252633;J-400946;Z293052298

Chemical Property of Ethyl 2-chloroisonicotinate

Chemical Property:

• Boiling Point: 269.2 °C at 760 mmHg
• Flash Point: 116.6 °C
• PSA: 39.19000
• Density: 1.245 g/cm³
• LogP: 1.91170
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 185.0243562
• Heavy Atom Count: 12
• Complexity: 163

Purity/Quality:

99%min ^*data from raw suppliers

Ethyl2-chloroisonicotinate ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 2-chloroisonicotinate

There total 6 articles about Ethyl 2-chloroisonicotinate 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: 63.0%

2-chloroisonicotinic acid, (6313-54-8) → ethyl 2-chloroisonicotinate (54453-93-9)

Guidance literature:

2-chloroisonicotinic acid,; With oxalyl dichloride; In dichloromethane; N,N-dimethyl-formamide; at 20 ℃; for 1h;

In ethanol; at 20 ℃; for 18h;

Reference yield: 63.0%

2-chloroisonicotinic acid, (6313-54-8) + oxalyl dichloride (79-37-8) → ethyl 2-chloroisonicotinate (54453-93-9)

Guidance literature:

In ethanol; dichloromethane; water; N,N-dimethyl-formamide;

Reference yield:

2-chloroisonicotinic acid, (6313-54-8) + ethanol (64-17-5) → ethyl 2-chloroisonicotinate (54453-93-9)

Guidance literature:

With dmap; dicyclohexyl-carbodiimide; In dichloromethane; Ambient temperature;

DOI:10.1021/jm00168a021

upstream raw materials:

2-chloroisonicotinic acid,

ethanol

Isonicotinic acid N-oxide

ethyl isonicotinate N-oxide

Downstream raw materials:

ethyl 2-(3,4,5-Trimethoxyphenyl)-isonicotinate

ethyl 2-[4-(trifluoromethyl)phenyl]isonicotinate

2-(4-methyl-piperazin-1-yl)-isonicotinic acid ethyl ester

C₁₈H₁₉ClN₂O₂

Refernces

• 1、 Teulon, David A. J.,Davidson, Melanie M.,Hedderley, Duncan I.,James, Dale E.,Fletcher, Callum D.,Larsen, Lesley,Green, Vanessa C.,Perry, Nigel B.. "4-Pyridyl carbonyl and related compounds as thrips lures: Effectiveness for onion thrips and New Zealand flower thrips in field experiments". . p. 6198 - 6205. Retrieved 2008/12/23.
• 2、 -. "INSECT BEHAVIOUR MODIFYING COMPOUNDS". Page/Page column 18. . Retrieved 2008/06/13.