4-(Methylamino)-3-nitrobenzaldehyde

Base Information

• Chemical Name: 4-(Methylamino)-3-nitrobenzaldehyde
• CAS No.: 42564-41-0
• Molecular Formula: C8H8N2O3
• Molecular Weight: 180.1607
• Hs Code.: 2922399090
• European Community (EC) Number: 809-261-2
• DSSTox Substance ID: DTXSID30397374
• Wikidata: Q82198659
• Mol file: 42564-41-0.mol

Synonyms:4-(methylamino)-3-nitrobenzaldehyde;42564-41-0;4-Methylamino-3-nitro-benzaldehyde;4-Methylamino-3-nitrobenzaldehyde;Benzaldehyde,4-(methylamino)-3-nitro-;SCHEMBL2322372;DTXSID30397374;PUJBBHWWDARUJE-UHFFFAOYSA-N;MFCD03964545;AKOS001074167;ME-0721;CS-0213014;FT-0682730;EN300-04766;A872857;J-513765;Z31222775

Chemical Property of 4-(Methylamino)-3-nitrobenzaldehyde

Chemical Property:

• Vapor Pressure: 8.03E-05mmHg at 25°C
• Refractive Index: 1.664
• Boiling Point: 341.5 °C at 760 mmHg
• Flash Point: 160.3 °C
• PSA: 74.92000
• Density: 1.36 g/cm³
• LogP: 2.04520
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 180.05349212
• Heavy Atom Count: 13
• Complexity: 202

Purity/Quality:

98%min ^*data from raw suppliers

4-(methylamino)-3-nitrobenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC1=C(C=C(C=C1)C=O)[N+](=O)[O-]

Technology Process of 4-(Methylamino)-3-nitrobenzaldehyde

There total 10 articles about 4-(Methylamino)-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: 97.0%

2-(4'-methylamino-3'-nitrophenyl)-1,3-oxathiolane (662165-70-0) → 4-(methylamino)-3-nitrobenzaldehyde (42564-41-0)

Guidance literature:

With Montmorillonite K₁₀; In benzene; for 2h; Heating;

Reference yield: 70.0%

3-nitro-4-chlorobenzylidenemethylamine (96022-30-9) + methylamine (74-89-5) → 4-(methylamino)-3-nitrobenzaldehyde (42564-41-0)

Guidance literature:

In ethanol; at 20 ℃; for 72h; Product distribution;

Reference yield: 70.0%

methylamine (74-89-5) + 4-chloro-3-nitro-benzaldehyde (16588-34-4) → 4-(methylamino)-3-nitrobenzaldehyde (42564-41-0)

Guidance literature:

In ethanol; at 20 ℃; for 72h; Product distribution;

upstream raw materials:

3-nitro-4-chlorobenzylidenemethylamine

methylamine

3-nitro-4-methoxybenzylidenemethylamine

4-chloro-3-nitro-benzaldehyde

Downstream raw materials:

methyl-(2-nitro-4-pyrrolidin-1-ylmethyl-phenyl)-amine

(4-(methylamino)-3-nitrophenyl)methanol

2-<4-(methylamino)-3-nitrobenzyl>-α-cyclodextrin

4-(chloromethyl)-N-methyl-2-nitrobenzenamine

Refernces

• 1、 Chauhan,Kumar, Anil,Sahoo. "Deprotection of 1,3-oxathiolanes to carbonyl compounds with montmorillonite K10". . p. 2635 - 2637. Retrieved 2007/10/03.
• 2、 Blokhin, A.V.,Bundel, Yu. G.,Terenin, V.I.,Kurtz, A.L.. "ACTIVATING EFFECT OF THE IMINIUM GROUP IN AROMATIC NUCLEOPHILIC SUBSTITUTION OF AN ALKOXY GROUP AND HALOGEN ATOMS BY THE ACTION OF NITROGEN BASES". . p. 2116 - 2123. Retrieved 2007/10/02.