3-Methoxy-2-nitrobenzaldehyde

Base Information

• Chemical Name: 3-Methoxy-2-nitrobenzaldehyde
• CAS No.: 53055-05-3
• Molecular Formula: C8H7 N O4
• Molecular Weight: 181.148
• Hs Code.: 29130000
• European Community (EC) Number: 258-332-9
• NSC Number: 172558
• UNII: 4W88LZM8VP
• DSSTox Substance ID: DTXSID20201097
• Nikkaji Number: J267.342H
• Wikidata: Q72517193
• Mol file: 53055-05-3.mol

Synonyms:3-Methoxy-2-nitrobenzaldehyde;53055-05-3;Benzaldehyde, 3-methoxy-2-nitro-;3-methoxy-2-nitro-benzaldehyde;2-nitro-3-methoxybenzaldehyde;MFCD00007135;4W88LZM8VP;EINECS 258-332-9;NSC-172558;NSC172558;UNII-4W88LZM8VP;SCHEMBL594444;2-Nitro-3-methoxy benzaldehyde;DTXSID20201097;AKOS015852320;NSC 172558;3-Methoxy-2-nitrobenzaldehyde, >=97%;AC-23846;BP-20090;BS-16969;SY030552;AM20040639;CS-0137575;FT-0602705;EN300-90518;A21536;A1-02433;J-512751;Z1255485341

Chemical Property of 3-Methoxy-2-nitrobenzaldehyde

Chemical Property:

• Appearance/Colour: White to beige or yellow crystalline powder
• Vapor Pressure: 6.7E-05mmHg at 25°C
• Melting Point: 97-101 ºC
• Refractive Index: 1.59
• Boiling Point: 344.2°Cat760mmHg
• Flash Point: 177.3°C
• PSA: 72.12000
• Density: 1.322g/cm³
• LogP: 1.93910
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1
• 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:

99% ^*data from raw suppliers

3-Methoxy-2-nitrobenzaldehyde 97% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Benzaldehydes
• Canonical SMILES: COC1=CC=CC(=C1[N+](=O)[O-])C=O
• Uses: 3-Methoxy-2-nitrobenzaldehyde was used in the synthesis of 8-hydroxyquinazoline, methy-3-methoxyanthranilate and 3-methoxy-2-nitrobenzylidenebisformamide.

Technology Process of 3-Methoxy-2-nitrobenzaldehyde

There total 13 articles about 3-Methoxy-2-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: 96.0%

(3-methoxy-2-nitro-phenoxy)-trimethyl-silane → 3-methoxy 2-nitrobenzaldehyde (53055-05-3)

Guidance literature:

With chromium(VI) oxide; HZSM-5 zeolite; for 0.0266667h; microwave irradiation;

DOI:10.1080/10426500490463853

Reference yield: 87.0%

C12H13NO7 → 3-methoxy 2-nitrobenzaldehyde (53055-05-3)

Guidance literature:

With N-Bromosuccinimide; water; silica gel; at 20 ℃; for 0.0666667h; chemoselective reaction; neat (no solvent);

DOI:10.1007/s00706-009-0212-9

Reference yield: 77.0%

(3-methoxy-2-nitrophenyl)methanol (53055-04-2) → 3-methoxy 2-nitrobenzaldehyde (53055-05-3)

Guidance literature:

With pyridinium chlorochromate; In dichloromethane; at 20 ℃; for 2h;

upstream raw materials:

3-methoxy-benzaldehyde

meta-hydroxybenzaldehyde

dimethyl sulfate

sulfuric acid

Downstream raw materials:

2-nitro-3-methoxy-trans-cinnamic acid

7-methoxy-1H-indole-2,3-dione

3-methoxy-2-nitrobenzoic acid

3-methoxy-2,6-dinitrobenzaldehyde