1-chloro-4-(nitromethyl)benzene

Base Information

• Chemical Name: 1-chloro-4-(nitromethyl)benzene
• CAS No.: 29559-24-8
• Molecular Formula: C7H6 Cl N O2
• Molecular Weight: 171.583
• Mol file: 29559-24-8.mol

Synonyms:Toluene,p-chloro-a-nitro- (8CI);(4-Chlorophenyl)nitromethane; (p-Chlorophenyl)nitromethane;1-Chloro-4-(nitromethyl)benzene; NSC 71932; p-Chloro-a-nitrotoluene

Chemical Property of 1-chloro-4-(nitromethyl)benzene

Chemical Property:

• Vapor Pressure: 0.0102mmHg at 25°C
• Boiling Point: 263.6°Cat760mmHg
• Flash Point: 113.2°C
• Density: 1.315g/cm³

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1-chloro-4-(nitromethyl)benzene

There total 17 articles about 1-chloro-4-(nitromethyl)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: 91.3%

para-Chlorobenzyl alcohol (873-76-7) → 4-chlorophenylnitromethane (29559-24-8)

Guidance literature:

para-Chlorobenzyl alcohol; With acetic acid; sodium nitrite; In dichloromethane; at 20 ℃; for 0.0833333h;

With hydrogenchloride; In dichloromethane; water; at 20 ℃; for 8h;

Reference yield: 86.74%

4-chlorobenzaldoxime (3848-36-0) → 4-chlorophenylnitromethane (29559-24-8)

Guidance literature:

With dihydrogen peroxide; sodium acetate; acetic acid; at 100 ℃; for 6h; Temperature;

Reference yield: 86.0%

bromochlorobenzene (106-39-8) + nitromethane (75-52-5) → 4-chlorophenylnitromethane (29559-24-8)

Guidance literature:

With potassium phosphate; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; XPhos; In 1,4-dioxane; at 70 ℃; for 8h;

DOI:10.1021/jo401249y

upstream raw materials:

ethanol

4-chlorophenyldiazonium salt

2-(4-chloro-phenyl)-2-nitro-indan-1,3-dione

1-Chloro-4-(chloromethyl)benzene

Downstream raw materials:

nutlin-3a

tert-butyl ((1R,2S)-2-amino-1,2-bis(4-chlorophenyl)ethyl)carbamate

N-((1S,2R)-2-amino-1,2-bis(4-chlorophenyl)ethyl)-2-isopropoxy-4-methoxybenzamide

tert-butyl (1R,2S)-1,2-bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxybenzamido)ethylcarbamate

Refernces

• 1、 Zhao, Liyu,Sun, Yin,Yin, Wenbo,Tian, Linfeng,Sun, Nannan,Zheng, Yang,Zhang, Chu,Zhao, Shizhen,Su, Xin,Zhao, Dongmei,Cheng, Maosheng. "Design, synthesis, and biological activity evaluation of 2-(benzo[b]thiophen-2-yl)-4-phenyl-4,5-dihydrooxazole derivatives as broad-spectrum antifungal agents". . . Retrieved 2021/11/22.
• 2、 Cheng, Maosheng,Su, Xin,Sun, Nannan,Sun, Yin,Tian, Linfeng,Yin, Wenbo,Zhang, Chu,Zhao, Dongmei,Zhao, Liyu,Zhao, Shizhen,Zheng, Yang. "Improving the metabolic stability of antifungal compounds based on a scaffold hopping strategy: Design, synthesis, and structure-activity relationship studies of dihydrooxazole derivatives". . . Retrieved 2021/08/07.