3,6-Dimethoxy-2-nitrobenzaldehyde

Base Information

• Chemical Name: 3,6-Dimethoxy-2-nitrobenzaldehyde
• CAS No.: 1206-55-9
• Molecular Formula: C9H9 N O5
• Molecular Weight: 211.174
• Hs Code.: 2913000090
• European Community (EC) Number: 667-725-8
• NSC Number: 107746
• DSSTox Substance ID: DTXSID50296118
• Nikkaji Number: J482.168H
• Wikidata: Q82036492
• Mol file: 1206-55-9.mol

Synonyms:3,6-dimethoxy-2-nitrobenzaldehyde;1206-55-9;3,6-Dimethoxy-2-nitrobenzenecarbaldehyde;NSC107746;Benzaldehyde, 3,6-dimethoxy-2-nitro-;SCHEMBL9228127;DTXSID50296118;BAA20655;MFCD00091893;AKOS005071106;NSC-107746;CS-0329332;FT-0680599;7W-0313;A892144;J-511406

Chemical Property of 3,6-Dimethoxy-2-nitrobenzaldehyde

Chemical Property:

• Vapor Pressure: 2.59E-06mmHg at 25°C
• Melting Point: 162-164°C
• Boiling Point: 390.8°Cat760mmHg
• Flash Point: 194.3°C
• PSA: 81.35000
• Density: 1.312g/cm³
• LogP: 1.94770
• Storage Temp.: 2-8°C
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 211.04807239
• Heavy Atom Count: 15
• Complexity: 239

Purity/Quality:

97% ^*data from raw suppliers

3,6-Dimethoxy-2-nitrobenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3,6-Dimethoxy-2-nitrobenzaldehyde

There total 9 articles about 3,6-Dimethoxy-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: 95.0%

2,5-dimethoxy-6-nitrobenzaldehyde diethylacetal → 3,6-dimethoxy-2-nitrobenzaldehyde (1206-55-9)

Guidance literature:

With hydrogenchloride; In chloroform; water; at 20 ℃; for 0.5h;

Reference yield: 95.0%

Acetic acid acetoxy-(3,6-dimethoxy-2-nitro-phenyl)-methyl ester (143536-21-4) → 3,6-dimethoxy-2-nitrobenzaldehyde (1206-55-9)

Guidance literature:

With cerium(IV) ammonium nitrate supported on silica; In dichloromethane; for 0.25h;

DOI:10.1016/S0040-4039(00)74803-9

Reference yield: 91.0%

2,5-dimethoxybenzaldehyde (93-02-7) → 3,6-Dimethoxy-4-nitrobenzaldehyde (1207-59-6) + 3,6-dimethoxy-2-nitrobenzaldehyde (1206-55-9)

Guidance literature:

With hydrogenchloride; nitric acid; Yield given. Multistep reaction; 1.) acetic anhydride, from 10 deg C to 15 deg C, 1 h, 2.) acetic anhydride, 2 h;

DOI:10.1080/00397919208021342

upstream raw materials:

2,5-dimethoxybenzaldehyde

Acetic acid acetoxy-(3,6-dimethoxy-2-nitro-phenyl)-methyl ester

nitric acid

ethanol

Downstream raw materials:

2-amino-3,6-dimethoxylbenzaldehyde

3,6-dimethoxy-2-hydroxylaminobenzaldehyde

2,5-dimethoxy-6-nitro-(N,N'-diformamido)benzaldehyde acetal

methyl 4,7-dimethoxybenzo[b]thiophene-2-carboxylate