4-(Dimethylamino)-3-nitrobenzaldehyde

Base Information

• Chemical Name: 4-(Dimethylamino)-3-nitrobenzaldehyde
• CAS No.: 59935-39-6
• Molecular Formula: C9H10N2O3
• Molecular Weight: 194.19
• Hs Code.: 2922390090
• NSC Number: 156545
• DSSTox Substance ID: DTXSID50303078
• Wikidata: Q82048188
• ChEMBL ID: CHEMBL1877925
• Mol file: 59935-39-6.mol

Synonyms:4-(dimethylamino)-3-nitrobenzaldehyde;59935-39-6;4-(Dimethylamino)-3-nitrobenzenecarbaldehyde;4-dimethylamino-3-nitro-benzaldehyde;NSC156545;SCHEMBL7142928;CHEMBL1877925;DTXSID50303078;BMMZDXZYHYBOOQ-UHFFFAOYSA-N;3-Nitro-4-dimethylaminobenzaldehyd;MFCD00480831;STK397254;AKOS000113472;LB-0735;NSC-156545;NCGC00188245-01;NCGC00188245-02;CS-0219592;FT-0681182;EN300-04406;E78573;J-513724;Z31222605

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

Chemical Property:

• Vapor Pressure: 0.000116mmHg at 25°C
• Melting Point: 105-107 °C
• Refractive Index: 1.632
• Boiling Point: 335.9 °C at 760 mmHg
• Flash Point: 156.9 °C
• PSA: 66.13000
• Density: 1.286 g/cm³
• LogP: 1.99650
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 194.06914219
• Heavy Atom Count: 14
• Complexity: 225

Purity/Quality:

98%min ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 11 articles about 4-(Dimethylamino)-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%

3-nitro-4-chlorobenzylidenemethylamine (96022-30-9) + dimethyl amine (124-40-3) → 4-dimethylamino-3-nitrobenzaldehyde (59935-39-6)

Guidance literature:

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

Reference yield: 75.4%

4-dimethylamino-benzaldehyde (100-10-7) → 4-dimethylamino-3-nitrobenzaldehyde (59935-39-6)

Guidance literature:

With oxygen; Nitrogen dioxide; In chloroform; at 20 ℃; for 24h; Solvent; Temperature; Molecular sieve;

Reference yield: 73.0%

dimethyl amine (124-40-3) + 4-chloro-3-nitro-benzaldehyde (16588-34-4) → 4-dimethylamino-3-nitrobenzaldehyde (59935-39-6)

Guidance literature:

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

upstream raw materials:

4-dimethylamino-benzaldehyde

3-nitro-4-chlorobenzylidenemethylamine

dimethyl amine

3-nitro-4-methoxybenzylidenemethylamine

Downstream raw materials:

4-Dimethylamino-3,4'-dinitro-trans-stilben

4-Dimethylamino-2',3,4'-trinitro-trans-stilben

4-Cyan-4'-dimethylamino-2,3'-dinitro-trans-stilben

4-Dimethylamino-5'-methyl-2',3,4'-trinitro-trans-stilben

Refernces

• 1、 -. "Method for preparing 3-nitro-4-(dimethylamino) benzaldehyde from nitrogen dioxide nitrated 4-(dimethylamino) benzaldehyde". Paragraph 0011; 0012; 0013; 0014. . Retrieved 2018/01/03.
• 2、 Maya, Ana B. S.,Pérez-Melero, Concepción,Mateo, Carmen,Alonso, Dulce,Fernández, José Luis,Gajate, Consuelo,Mollinedo, Faustino,Peláez, Rafael,Caballero, Esther,Medarde, Manuel. "Further naphthylcombretastatins. An investigation on the role of the naphthalene moiety". . p. 556 - 568. Retrieved 2007/10/03.