Methyl 3-formyl-4-nitrobenzoate

Base Information

• Chemical Name: Methyl 3-formyl-4-nitrobenzoate
• CAS No.: 148625-35-8
• Molecular Formula: C9H7 N O5
• Molecular Weight: 209.158
• Hs Code.: 2918300090
• European Community (EC) Number: 855-416-2
• DSSTox Substance ID: DTXSID80446442
• Nikkaji Number: J2.448.534J
• Wikidata: Q72490948
• Mol file: 148625-35-8.mol

Synonyms:Methyl 3-formyl-4-nitrobenzoate;148625-35-8;Benzoic acid, 3-formyl-4-nitro-, methyl ester;MFCD05664271;3-Formyl-4-nitrobenzoic acid methyl ester;3-formyl-4-nitro-benzoic acid methyl ester;METHYL 3-FORMYL-4-NITROBENZOATE 97;Methyl3-formyl-4-nitrobenzoate;5-Methoxycarbonyl-2-nitro-benzaldehyde;SCHEMBL537223;methyl-3-formyl-4-nitrobenzoate;AMY3702;DTXSID80446442;JHFSCEMUDKRPID-UHFFFAOYSA-N;BCP17341;2-Nitro-5-carbomethoxy benzaldehyde;2-nitro-5-methoxycarbonylbenzaldehyde;AKOS015837462;CS-W005134;SB11456;Methyl 3-formyl-4-nitrobenzoate, 97%;DS-15981;SY098937;Benzoic acid,3-formyl-4-nitro-,methyl ester;EN300-202722;J-008494;Z1509545222

Chemical Property of Methyl 3-formyl-4-nitrobenzoate

Chemical Property:

• Vapor Pressure: 3.91E-06mmHg at 25°C
• Melting Point: 72-76 °C(lit.)
• Refractive Index: 1.596
• Boiling Point: 385.1°C at 760 mmHg
• Flash Point: 193.5°C
• PSA: 89.19000
• Density: 1.386
• LogP: 1.71710
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 209.03242232
• Heavy Atom Count: 15
• Complexity: 272

Purity/Quality:

97% ^*data from raw suppliers

Methyl 3-formyl-4-nitrobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])C=O

Technology Process of Methyl 3-formyl-4-nitrobenzoate

There total 8 articles about Methyl 3-formyl-4-nitrobenzoate 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: 95.0%

methyl (E)-3-(2-(dimethylamino)vinyl)-4-nitrobenzoate (108763-41-3) → methyl 3-formyl-4-nitrobenzoate (148625-35-8)

Guidance literature:

With sodium periodate; In tetrahydrofuran; water; for 1h; Ambient temperature;

DOI:10.1016/S0040-4039(00)76515-4

Reference yield: 90.0%

3-dibromomethyl-4-nitrobenzoic acid methyl ester (207862-97-3) → methyl 3-formyl-4-nitrobenzoate (148625-35-8)

Guidance literature:

3-dibromomethyl-4-nitrobenzoic acid methyl ester; With pyridine; at 100 ℃; for 1.16667h;

With water; Further stages.;

DOI:10.1016/j.tet.2007.11.030

Reference yield:

methyl 3-methyl-4-nitrobenzoate (24078-21-5) → methyl 3-formyl-4-nitrobenzoate (148625-35-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 80 percent / dimethylformamide / 140 °C

2: 95 percent / NaIO₄ / tetrahydrofuran; H₂O

With sodium periodate; In tetrahydrofuran; water; N,N-dimethyl-formamide;

DOI:10.1039/b611121a

upstream raw materials:

methyl (E)-3-(2-(dimethylamino)vinyl)-4-nitrobenzoate

methyl 3-(hydroxymethyl)-4-nitrobenzoate

3-dibromomethyl-4-nitrobenzoic acid methyl ester

3-methyl-4-nitrobenzoic acid

Downstream raw materials:

methyl 3-(2,2-dibromovinyl)-4-nitrobenzoate

2-ethyl 6-methyl benzo[b]thiophene-2,6-dicarboxylate

dimethyl benzo[b]thiophene-2,5-dicarboxylate

benzo[b]thiophene-2,5-dicarboxylic acid 2-tert-butyl ester 5-methyl ester