beta-Chloro-p-nitrocinnamaldehyde

Base Information

• Chemical Name: beta-Chloro-p-nitrocinnamaldehyde
• CAS No.: 2888-10-0
• Molecular Formula: C9H6 Cl N O3
• Molecular Weight: 211.605
• Nikkaji Number: J1.818.912G
• Wikidata: Q76325210
• Mol file: 2888-10-0.mol

Synonyms:beta-Chloro-p-nitrocinnamaldehyde;2888-10-0;CINNAMALDEHYDE, beta-CHLORO-p-NITRO-;(2Z)-3-chloro-3-(4-nitrophenyl)prop-2-enal;2-Propenal, 3-chloro-3-(4-nitrophenyl)-;106098-23-1;(Z)-3-chloro-3-(4-nitrophenyl)prop-2-enal;SCHEMBL11365765;beta-Chloro-4-nitrobenzenepropenal;BBL000849;STK996458;AKOS005682675;LS-53828;VS-00782

Chemical Property of beta-Chloro-p-nitrocinnamaldehyde

Chemical Property:

• Vapor Pressure: 0.000179mmHg at 25°C
• Boiling Point: 329.3°Cat760mmHg
• Flash Point: 152.9°C
• Density: 1.371g/cm³
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 211.0036207
• Heavy Atom Count: 14
• Complexity: 251

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=CC=O)Cl)[N+](=O)[O-]
• Isomeric SMILES: C1=CC(=CC=C1/C(=C/C=O)/Cl)[N+](=O)[O-]

Technology Process of beta-Chloro-p-nitrocinnamaldehyde

There total 3 articles about beta-Chloro-p-nitrocinnamaldehyde 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: 63.0%

N,N-dimethyl-formamide (68-12-2,33513-42-7) + (4-nitrophenyl)ethanone (100-19-6) → β-Chlor-p-nitro-zimtaldehyd (2888-10-0)

Guidance literature:

N,N-dimethyl-formamide; With trichlorophosphate; at 0 - 20 ℃; for 0.5h; Inert atmosphere;

(4-nitrophenyl)ethanone; at 0 - 65 ℃; for 6h; Inert atmosphere;

DOI:10.1039/c1cc13908h

Reference yield:

Dimethyl-<γ-chlor-γ-(p-nitro-phenyl)-allyliden>-ammonium (10504-54-8) → β-Chlor-p-nitro-zimtaldehyd (2888-10-0)

Guidance literature:

With water;

Reference yield:

(4-nitrophenyl)ethanone (100-19-6) → β-Chlor-p-nitro-zimtaldehyd (2888-10-0)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) POCl₃, (ii) /BRN= 607777/

2: H₂O

With water;

upstream raw materials:

Dimethyl-<γ-chlor-γ-(p-nitro-phenyl)-allyliden>-ammonium

(4-nitrophenyl)ethanone

N,N-dimethyl-formamide

Downstream raw materials:

(4-Nitrophenyl)acetylene

methyl 5-(4-nitrophenyl)thiophene-2-carboxylate

C₉H₇ClN₂O₃

(E)-ethyl 3-(4-nitrophenyl)-5-oxo-2-styryl-2,5-dihydrofuran-2-carboxylate