4-Chloro-1-(2-nitropropenyl)benzene

Base Information

• Chemical Name: 4-Chloro-1-(2-nitropropenyl)benzene
• CAS No.: 710-20-3
• Molecular Formula: C9H8ClNO2
• Molecular Weight: 197.621
• European Community (EC) Number: 653-626-7
• Nikkaji Number: J1.523.464D,J495.293F,J597.880G
• ChEMBL ID: CHEMBL4279059
• Mol file: 710-20-3.mol

Synonyms:4-Chloro-1-(2-nitropropenyl)benzene;BRN 2047926;Benzene, 1-chloro-4-(2-nitropropenyl)-;AI3-28079;710-20-3;1-(4'-Chlor-phenyl)-2-nitro-propylen-(1,2) [German];Benzene, 1-chloro-4-(2-nitro-1-propenyl)-;1-(4'-Chlor-phenyl)-2-nitro-propylen-(1,2);4-05-00-01361 (Beilstein Handbook Reference);CHEMBL4279059;SCHEMBL15510679;AKOS024333736;1-CHLORO-4-(2-NITROPROPENYL)-BENZENE

Chemical Property of 4-Chloro-1-(2-nitropropenyl)benzene

Chemical Property:

• Vapor Pressure: 0.00162mmHg at 25°C
• Boiling Point: 304°C at 760 mmHg
• Flash Point: 137.6°C
• PSA: 45.82000
• Density: 1.275g/cm³
• LogP: 3.50070
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 197.0243562
• Heavy Atom Count: 13
• Complexity: 214

Purity/Quality:

1-CHLORO-4-(2-NITROPROPENYL)-BENZENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CC1=CC=C(C=C1)Cl)[N+](=O)[O-]
• Isomeric SMILES: C/C(=C/C1=CC=C(C=C1)Cl)/[N+](=O)[O-]

Technology Process of 4-Chloro-1-(2-nitropropenyl)benzene

There total 3 articles about 4-Chloro-1-(2-nitropropenyl)benzene 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: 100.0%

Nitroethane (79-24-3) + 4-chlorobenzaldehyde (104-88-1) → 1-chloro-4-(2-nitropropenyl)benzene (710-20-3)

Guidance literature:

With ammonium acetate; at 110 ℃; for 96h;

DOI:10.1002/anie.201610816

Reference yield:

Butyl-[1-(4-chloro-phenyl)-2-nitro-propyl]-amine (135711-47-6) → 1-chloro-4-(2-nitropropenyl)benzene (710-20-3) + N-butylamine (109-73-9,85404-21-3)

Guidance literature:

In acetonitrile; at 30 ℃; Equilibrium constant; var. temp.;

Reference yield:

→ 1-chloro-4-(2-nitropropenyl)benzene (710-20-3)

Guidance literature:

p-Chlorbenzaldehyd, Nitroethan;

DOI:10.1002/jsfa.2740140108

upstream raw materials:

Nitroethane

4-chlorobenzaldehyde

Butyl-[1-(4-chloro-phenyl)-2-nitro-propyl]-amine

Downstream raw materials:

1-(4-Chlor-phenyl)-1-methoxy-2-chlor-2-nitro-propan

[2-bromo-1-(4-chloro-phenyl)-2-nitro-propyl]-methyl ether

3-(p-Chlorphenyl)-2-hexanon

2-(p-Chlorphenyl)-3-butylamin

Refernces

• 1、 Jana, Sourav,Chakraborty, Amrita,Shirinian, Valerii Z.,Hajra, Alakananda. "Synthesis of Benzo[4,5]imidazo[2,1-b]thiazole by Copper(II)-Catalyzed Thioamination of Nitroalkene with 1H-Benzo[d]imidazole-2-thiol". supporting information. p. 2402 - 2408. Retrieved 2018/05/08.
• 2、 Zhao, Mi-Na,Liang, Hao,Ren, Zhi-Hui,Guan, Zheng-Hui. "Iron-catalyzed tandem one-pot addition and cyclization of the blaise reaction intermediate and nitroolefins: Synthesis of substituted NH-pyrroles from nitriles". supporting information. p. 221 - 226. Retrieved 2013/03/13.