Ethyl 2-chloro-5-cyano-6-methylnicotinate

Base Information

• Chemical Name: Ethyl 2-chloro-5-cyano-6-methylnicotinate
• CAS No.: 75894-43-8
• Molecular Formula: C₁₀H₉ClN₂O₂
• Molecular Weight: 224.647
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID101215859
• Wikidata: Q107944859
• Mol file: 75894-43-8.mol

Synonyms:Ethyl 2-chloro-5-cyano-6-methylnicotinate;75894-43-8;ethyl 2-chloro-5-cyano-6-methylpyridine-3-carboxylate;SCHEMBL2225084;VDAPYXHAXWXNDK-UHFFFAOYSA-N;DTXSID101215859;MFCD01565859;ZB1486;AKOS005072278;DA-0819;SB55140;Ethyl2-chloro-5-cyano-6-methylnicotinate;CS-0061563;W17871;Ethyl 2-chloro-5-cyano-6-methyl-3-pyridinecarboxylate;Ethyl 2-chloro-5-cyano-6-methyl-pyridine-3-carboxylate;2-Chloro-5-cyano-6-methyl-3-pyridine-carboxylic acid, ethyl ester

Chemical Property of Ethyl 2-chloro-5-cyano-6-methylnicotinate

Chemical Property:

• Melting Point: 49-51°
• PSA: 62.98000
• LogP: 2.09178
• Storage Temp.: 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 224.0352552
• Heavy Atom Count: 15
• Complexity: 286

Purity/Quality:

98%min ^*data from raw suppliers

Ethyl2-Chloro-5-cyano-6-methylnicotinate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(N=C(C(=C1)C#N)C)Cl

Technology Process of Ethyl 2-chloro-5-cyano-6-methylnicotinate

There total 2 articles about Ethyl 2-chloro-5-cyano-6-methylnicotinate 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: 89.0%

5-cyano-2-hydroxy-6-methylnicotinic acid ethyl ester (75894-42-7) → 2-chloro-5-cyano-6-methyl-pyridine-3-carboxylic acid ethyl ester (75894-43-8)

Guidance literature:

With oxalyl dichloride; for 8h; Reflux;

Reference yield:

diethyl 2-ethoxymethylenemalonate (87-13-8) → 2-chloro-5-cyano-6-methyl-pyridine-3-carboxylic acid ethyl ester (75894-43-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 2 h / 150 °C

2: trichlorophosphate / 5 h / 90 °C

With trichlorophosphate;

Reference yield:

2-chloro-5-cyano-6-methyl-pyridine-3-carboxylic acid ethyl ester (75894-43-8) → 5-cyano-6-methylnicotinic acid (1216866-96-4)

Guidance literature:

Multi-step reaction with 2 steps

1: palladium 10% on activated carbon; ammonium formate / methanol / 3 h / 20 °C

2: sodium hydroxide; water / methanol / 0.5 h / 20 °C

With palladium 10% on activated carbon; water; ammonium formate; sodium hydroxide; In methanol;

upstream raw materials:

5-cyano-2-hydroxy-6-methylnicotinic acid ethyl ester

diethyl 2-ethoxymethylenemalonate

Downstream raw materials:

5-cyano-6-methylnicotinic acid

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