Methyl 2-formylnicotinate

Base Information

• Chemical Name: Methyl 2-formylnicotinate
• CAS No.: 25230-59-5
• Molecular Formula: C8H7NO3
• Molecular Weight: 165.14600
• Hs Code.: 2933399090
• European Community (EC) Number: 832-953-0
• DSSTox Substance ID: DTXSID30554728
• Wikidata: Q82435875
• Mol file: 25230-59-5.mol

Synonyms:Methyl 2-formylnicotinate;25230-59-5;methyl 2-formylpyridine-3-carboxylate;3-Pyridinecarboxylic acid, 2-formyl-, methyl ester;Methyl2-formylnicotinate;SCHEMBL4556787;DTXSID30554728;MFCD11052321;AKOS006308928;SB54605;CS-0215082;E84379;EN300-220291;Z1198309070

Chemical Property of Methyl 2-formylnicotinate

Chemical Property:

• PSA: 56.26000
• LogP: 0.68070
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 165.042593085
• Heavy Atom Count: 12
• Complexity: 181

Purity/Quality:

98%Min ^*data from raw suppliers

Methyl 2-formylnicotinate 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 2-formylnicotinate

There total 3 articles about Methyl 2-formylnicotinate 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:

methyl 2-(bromomethyl)pyridine-3-carboxylate (116986-08-4) → methyl 2-formylnicotinate (25230-59-5)

Guidance literature:

With 4-methylmorpholine N-oxide; In acetonitrile; at 20 ℃; for 12h;

Reference yield:

methyl 2-methylnicotinate (65719-09-7) → methyl 2-formylnicotinate (25230-59-5)

Guidance literature:

Multi-step reaction with 2 steps

1: N-Bromosuccinimide; dibenzoyl peroxide / tetrachloromethane / 6 h / 100 °C

2: 4-methylmorpholine N-oxide / acetonitrile / 12 h / 20 °C

With N-Bromosuccinimide; 4-methylmorpholine N-oxide; dibenzoyl peroxide; In tetrachloromethane; acetonitrile;

Reference yield:

→ methyl 2-formylnicotinate (25230-59-5)

Guidance literature:

2,3-Dicarboxymethylpyridin, ...ACH;

upstream raw materials:

methyl 2-methylnicotinate

methyl 2-(bromomethyl)pyridine-3-carboxylate

Downstream raw materials:

3-(methoxycarbonyl)pyridine-2-carboxylic acid chloride

Refernces

• 1、 -. "BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION". . . Retrieved 2012/05/20.