3-Methoxy-2,6-dinitrobenzaldehyde

Base Information

• Chemical Name: 3-Methoxy-2,6-dinitrobenzaldehyde
• CAS No.: 10202-94-5
• Molecular Formula: C8H6 N2 O6
• Molecular Weight: 226.145
• NSC Number: 172559
• DSSTox Substance ID: DTXSID40305900
• Wikidata: Q82052701
• Mol file: 10202-94-5.mol

Synonyms:3-methoxy-2,6-dinitrobenzaldehyde;10202-94-5;2,6-bisnitro-3-methoxybenzaldehyde;NSC 172559;NSC172559;SCHEMBL10645648;DTXSID40305900;NSC-172559;AE-018/31856019

Chemical Property of 3-Methoxy-2,6-dinitrobenzaldehyde

Chemical Property:

• Vapor Pressure: 6.74E-08mmHg at 25°C
• Boiling Point: 438.8°C at 760 mmHg
• Flash Point: 226.1°C
• Density: 1.519g/cm³
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 226.02258592
• Heavy Atom Count: 16
• Complexity: 296

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Methoxy-2,6-dinitrobenzaldehyde

There total 7 articles about 3-Methoxy-2,6-dinitrobenzaldehyde 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: 47.0%

3-methoxy-benzaldehyde (591-31-1) → 3-methoxy-2,6-dinitrobenzaldehyde (10202-94-5) + 5-methoxy-2,4-dinitrobenzaldehyde (860243-67-0) + 3-methoxy-2,4-dinitrobenzaldehyde

Guidance literature:

With sulfuric acid; nitric acid; at -10 - 20 ℃; for 2h;

DOI:10.1016/j.tet.2007.12.016

Reference yield:

3-methoxy-benzaldehyde (591-31-1) → 2,4-diamino-5-methoxybenzaldehyde (1013629-30-5) + C8H10N2O2 + 3-methoxy-2,6-dinitrobenzaldehyde (10202-94-5)

Guidance literature:

3-methoxy-benzaldehyde; With sulfuric acid; nitric acid; at -10 - 20 ℃; for 2h;

With hydrogenchloride; iron; In ethanol; at 95 ℃; for 1h; Further stages.;

DOI:10.1016/j.tet.2007.12.016

Reference yield:

3-methoxy-benzaldehyde (591-31-1) → 3-methoxy-2,6-dinitrobenzaldehyde (10202-94-5)

Guidance literature:

With sulfuric acid; potassium nitrate; die entstehende zwei Dinitroderivate trennt man durch siedendes Wasser;

upstream raw materials:

5-methoxy-2-nitro-benzaldehyde

3-methoxy 2-nitrobenzaldehyde

3-methoxy-benzaldehyde

sulfuric acid

Downstream raw materials:

2,4-dinitroanisole

acetylamino-(3-methoxy-2,6-dinitro-benzyl)-malonic acid diethyl ester

3-chloromethyl-2,4-dinitro-anisole

3-methoxy-2,6-dinitro-phenylalanine

Refernces