4-Methoxy-3-nitrobenzaldehyde

Base Information

• Chemical Name: 4-Methoxy-3-nitrobenzaldehyde
• CAS No.: 31680-08-7
• Molecular Formula: C3H7NO4
• Molecular Weight: 181.148
• Hs Code.: 38220090
• European Community (EC) Number: 678-312-7
• DSSTox Substance ID: DTXSID50351453
• Nikkaji Number: J465.140E
• Wikidata: Q72517195
• Mol file: 31680-08-7.mol

Synonyms:4-Methoxy-3-nitrobenzaldehyde;31680-08-7;3-nitro-4-anisaldehyde;Benzaldehyde, 4-methoxy-3-nitro-;3-nitro-4-methoxybenzaldehyde;MFCD00126498;3-Nitro-p-anisaldehyde;4-methoxy-3-nitro-benzaldehyde;4-methoxy-5-nitrobenzaldehyde;SCHEMBL346541;DTXSID50351453;AMY29031;STR07890;BBL023260;STL293601;4-Methoxy-3-nitrobenzaldehyde, 97%;AKOS000113337;AC-9326;CS-W008450;PS-4453;SY034452;FT-0638984;N0830;EN300-71321;J-018511;Z31131401

Chemical Property of 4-Methoxy-3-nitrobenzaldehyde

Chemical Property:

• Appearance/Colour: white to yellow powder, crystals or crystalline powder
• Vapor Pressure: 0.000125mmHg at 25°C
• Melting Point: 97-100 °C(lit.)
• Refractive Index: 1.59
• 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
• Sensitive.: Air Sensitive
• XLogP3: 1.3
• 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

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 4-Methoxy-3-nitrobenzaldehyde

There total 32 articles about 4-Methoxy-3-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: 95.0%

4-methoxy-benzaldehyde (123-11-5) → 4-methoxy-3-nitrobenzaldehyde (31680-08-7)

Guidance literature:

With magnesium(II) nitrate hexahydrate; AMA; at 20 ℃; for 0.5h; Neat (no solvent);

DOI:10.3184/030823408X390181

Reference yield: 93.7%

4-hydroxy-3-nitrobenzaldehyde (3011-34-5) + methyl iodide (74-88-4) → 4-methoxy-3-nitrobenzaldehyde (31680-08-7)

Guidance literature:

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

DOI:10.1021/acs.jmedchem.9b01223

Reference yield: 84.0%

4-methoxy-benzaldehyde (123-11-5) → 4-methoxy-2-nitro-benzaldehyde (22996-21-0) + 4-methoxy-3-nitrobenzaldehyde (31680-08-7)

Guidance literature:

With trifluoromethylsulfonic anhydride; ethylammonium nitrate; at 0 - 20 ℃; for 0.666667h; Inert atmosphere;

DOI:10.1021/jo201374a

upstream raw materials:

(4-methoxy-3-nitrophenyl)methanol

4-hydroxy-3-nitrobenzaldehyde

4-methoxy-benzaldehyde

4-chloro-3-nitro-benzaldehyde

Downstream raw materials:

4-methoxy-3-nitro-cinnamic acid

(4-methoxy-3-nitrophenyl)methylene diacetate

2-(4-methoxy-3-nitro-phenyl)-[1,3]dioxolane

4-methoxy-3-nitro-chalcone