2-(4-Nitrophenyl)acetyl chloride

Base Information

• Chemical Name: 2-(4-Nitrophenyl)acetyl chloride
• CAS No.: 50434-36-1
• Molecular Formula: C8H6ClNO3
• Molecular Weight: 199.594
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID00198471
• Nikkaji Number: J975.675B
• Wikidata: Q83071240
• Mol file: 50434-36-1.mol

Synonyms:2-(4-nitrophenyl)acetyl chloride;50434-36-1;(4-nitrophenyl)acetyl chloride;Benzeneacetyl chloride, 4-nitro-;(4-NITRO-PHENYL)-ACETYL CHLORIDE;4-Nitrobenzeneacetyl chloride;p-Nitrophenylacetylchloride;p-nitrophenylacetyl chloride;4-nitrophenylacetyl chloride;SCHEMBL641867;4-nitrophenylacetic acid chloride;DTXSID00198471;FYXZTVPBFJQFBO-UHFFFAOYSA-N;MFCD00130224;AKOS000279467;EN300-239794;tert-butyl?(1R,2S)-2-aminocyclohexylcarbamate;F2190-0112

Chemical Property of 2-(4-Nitrophenyl)acetyl chloride

Chemical Property:

• Vapor Pressure: 0.000183mmHg at 25°C
• Refractive Index: 1.576
• Boiling Point: 328.9 °C at 760 mmHg
• Flash Point: 152.7 °C
• PSA: 62.89000
• Density: 1.399 g/cm³
• LogP: 2.42590
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 199.0036207
• Heavy Atom Count: 13
• Complexity: 206

Purity/Quality:

99% ^*data from raw suppliers

(4-Nitrophenyl)acetyl chloride 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CC(=O)Cl)[N+](=O)[O-]
• Uses: 2-(4-Nitrophenyl)acetyl chloride is used as a reactant or starting material in the preparation of artificial receptors.

Technology Process of 2-(4-Nitrophenyl)acetyl chloride

There total 5 articles about 2-(4-Nitrophenyl)acetyl chloride 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%

4-nitrobenzeneacetic acid (104-03-0) → 4-nitrophenylacetyl chloride (50434-36-1)

Guidance literature:

With phosphorus pentachloride; at 100 ℃; for 0.166667h;

DOI:10.1016/S0022-1139(00)81929-6

Reference yield:

oxalyl dichloride (79-37-8) + 4-nitrobenzeneacetic acid (104-03-0) → 4-nitrophenylacetyl chloride (50434-36-1)

Guidance literature:

In dichloromethane; N,N-dimethyl-formamide;

Reference yield:

phenylacetonitrile (140-29-4) → 4-nitrophenylacetyl chloride (50434-36-1)

Guidance literature:

Multi-step reaction with 3 steps

1: durch Nitrierung

2: sulfuric acid

3: thionyl chloride

With thionyl chloride; sulfuric acid;

upstream raw materials:

4-nitrobenzeneacetic acid

phenylacetonitrile

4-Nitrophenylacetonitrile

oxalyl dichloride

Downstream raw materials:

1-diazo-3-(4-nitro-phenyl)-propan-2-one

S-phenyl 2-(4-nitrophenyl)ethanethioate

p-Nitrophenylessigsaeure-(m-tolylester)

1-(4-methoxyphenyl)-2-(4-nitrophenyl)ethanone

Refernces

• 1、 Cui, Dongmei,Gao, Mingjie,Li, Jinjie,Li, Shoujie,Nian, Xin,Zhang, Chen,Zhang, Liyu,Zhao, Changqi. "Design, synthesis, biological evaluation and silico prediction of novel sinomenine derivatives". . . Retrieved 2021/06/25.
• 2、 Fang, Hai-Lian,He, Jie-Ling,Li, Wei-Yi,Liu, Shan-Shan,Ni, Wei-Wei,Pan, Xing-Ming,Xiao, Zhu-Ping,Ye, Ya-Xi,Yi, Juan,Zhou, Mi,Zhou, Tian-Li,Zhu, Hai-Liang. "N-monoarylacetothioureas as potent urease inhibitors: synthesis, SAR, and biological evaluation". . p. 404 - 413. Retrieved 2020/01/03.