3-Pyridinecarboxylic acid, 5-(cyanomethyl)-, methyl ester

Base Information

• Chemical Name: 3-Pyridinecarboxylic acid, 5-(cyanomethyl)-, methyl ester
• CAS No.: 878741-69-6
• Molecular Formula: C9H8N2O2
• Molecular Weight: 176.17200
• Hs Code.: 2933399090

Synonyms:5-CYANOMETHYL-NICOTINIC ACID METHYL ESTER;5-cyanomethyl-3-pyridinecarboxylic acid,methyl ester;

Chemical Property of 3-Pyridinecarboxylic acid, 5-(cyanomethyl)-, methyl ester

Chemical Property:

• PSA: 62.98000
• LogP: 0.93428

Purity/Quality:

97% ^*data from raw suppliers

5-Cyanomethyl-nicotinicacidmethylester 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-Pyridinecarboxylic acid, 5-(cyanomethyl)-, methyl ester

There total 4 articles about 3-Pyridinecarboxylic acid, 5-(cyanomethyl)-, methyl ester 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:

N-Cyanotri-n-butylammonium (45154-69-6) + methyl 5-(chloromethyl)pyridine-3-carboxylate (562074-61-7) → methyl 5-(cyanomethyl)pyridine-3-carboxylate (878741-69-6)

Guidance literature:

In N,N-dimethyl-formamide; at 20 ℃; for 3h;

Reference yield:

methyl 5-(hydroxymethyl)pyridine-3-carboxylate (129747-52-0) → methyl 5-(cyanomethyl)pyridine-3-carboxylate (878741-69-6)

Guidance literature:

Multi-step reaction with 2 steps

1: thionyl chloride / dichloromethane / 3 h / 20 °C

2: N,N-dimethyl-formamide / 3 h / 20 °C

With thionyl chloride; In dichloromethane; N,N-dimethyl-formamide;

Reference yield:

(5-bromopyridin-3-yl)methanol (37669-64-0) → methyl 5-(cyanomethyl)pyridine-3-carboxylate (878741-69-6)

Guidance literature:

Multi-step reaction with 3 steps

1: triethylamine; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / 16 h / 80 °C / 15201 Torr

2: thionyl chloride / dichloromethane / 3 h / 20 °C

3: N,N-dimethyl-formamide / 3 h / 20 °C

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; thionyl chloride; triethylamine; In dichloromethane; N,N-dimethyl-formamide;

upstream raw materials:

N-Cyanotri-n-butylammonium

methyl 5-(chloromethyl)pyridine-3-carboxylate

methyl 5-(hydroxymethyl)pyridine-3-carboxylate

(5-bromopyridin-3-yl)methanol

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