3-Methoxy-4-nitrobenzaldehyde

Base Information

• Chemical Name: 3-Methoxy-4-nitrobenzaldehyde
• CAS No.: 80410-57-7
• Molecular Formula: C8H7NO4
• Molecular Weight: 181.148
• Hs Code.: 2913000090
• European Community (EC) Number: 847-861-6
• DSSTox Substance ID: DTXSID90467486
• Nikkaji Number: J465.141C
• Wikidata: Q82294449
• Mol file: 80410-57-7.mol

Synonyms:3-METHOXY-4-NITROBENZALDEHYDE;80410-57-7;3-methoxy-4-nitro-benzaldehyde;NICOTINOYLAZIDE;SCHEMBL1159451;DTXSID90467486;WUTIWOZYHHSBBU-UHFFFAOYSA-N;MFCD08703367;AKOS011395915;DS-13771;CS-0069818;EN300-124541;O11030;A916088;Z959304258

Chemical Property of 3-Methoxy-4-nitrobenzaldehyde

Chemical Property:

• Melting Point: 104 °C
• Boiling Point: 334.8 °C at 760 mmHg
• Flash Point: 171 °C
• PSA: 72.12000
• Density: 1.322 g/cm³
• LogP: 1.93910
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 181.03750770
• Heavy Atom Count: 13
• Complexity: 201

Purity/Quality:

97% ^*data from raw suppliers

3-Methoxy-4-nitrobenzaldehyde 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)C=O)[N+](=O)[O-]

Technology Process of 3-Methoxy-4-nitrobenzaldehyde

There total 16 articles about 3-Methoxy-4-nitrobenzaldehyde 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: 100.0%

(3-methoxy-4-nitrophenyl)methanol (80866-88-2) → 3-methoxy-4-nitrobenzaldehyde (80410-57-7)

Guidance literature:

With dipyridinium dichromate; In dichloromethane; at 20 ℃; for 17h;

Reference yield: 99.0%

5-formyl-2-nitrophenol (704-13-2) + methyl iodide (74-88-4) → 3-methoxy-4-nitrobenzaldehyde (80410-57-7)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; Inert atmosphere;

DOI:10.1021/acsmedchemlett.7b00178

Reference yield: 49.0%

3-methoxy-benzaldehyde (591-31-1) → 3-methoxy-4-nitrobenzaldehyde (80410-57-7)

Guidance literature:

With sulfuric acid; nitric acid; at -10 - 20 ℃; for 1h;

DOI:10.1039/c5ob01463h

upstream raw materials:

3-(3-Methoxy-4-nitrophenyl)-2-propenoic acid

diazomethane

5-formyl-2-nitrophenol

1-bromomethyl-3-methoxy-4-nitrobenzene

Downstream raw materials:

2-(3-methoxy-4-nitrostyryl)pyridine

5-methoxy-2,4-dinitrobenzaldehyde

(E)-1-(3'-methoxy-4'-nitrophenyl)-2-(3,4,5-trimethoxyphenyl)ethene

(Z)-1-(3'-methoxy-4'-nitrophenyl)-2-(3,4,5-trimethoxyphenyl)ethene