1-[(2-Chloro-2-phenylethyl)sulfonyl]-4-nitrobenzene

Base Information

• Chemical Name: 1-[(2-Chloro-2-phenylethyl)sulfonyl]-4-nitrobenzene
• CAS No.: 30158-46-4
• Molecular Formula: C14H12 Cl N O4 S
• Molecular Weight: 325.773
• NSC Number: 140178
• DSSTox Substance ID: DTXSID60300957
• Mol file: 30158-46-4.mol

Synonyms:30158-46-4;1-[(2-Chloro-2-phenylethyl)sulfonyl]-4-nitrobenzene;Benzene,1-[(2-chloro-2-phenylethyl)sulfonyl]-4-nitro-;NSC140178;DTXSID60300957;DOVCSFCXQWKXEM-UHFFFAOYSA-N;MFCD00563162;STK952010;AKOS002306957;AKOS016244931;NSC-140178;SR-01000204649;1-Chloro-1-phenyl-2-[p-nitrobenzenesulfonyl]ethane;SR-01000204649-1;1-[(2-Chloro-2-phenylethyl)sulfonyl]-4-nitrobenzene #

Chemical Property of 1-[(2-Chloro-2-phenylethyl)sulfonyl]-4-nitrobenzene

Chemical Property:

• Vapor Pressure: 9.86E-11mmHg at 25°C
• Boiling Point: 528.7°Cat760mmHg
• Flash Point: 273.5°C
• Density: 1.401g/cm³
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 325.0175567
• Heavy Atom Count: 21
• Complexity: 443

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(CS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])Cl

Technology Process of 1-[(2-Chloro-2-phenylethyl)sulfonyl]-4-nitrobenzene

There total 3 articles about 1-[(2-Chloro-2-phenylethyl)sulfonyl]-4-nitrobenzene 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: 94.0%

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + 4-Nitrobenzenesulfonyl chloride (98-74-8) → 1-((2-chloro-2-phenylethyl)sulfonyl)-4-nitrobenzene (30158-46-4)

Guidance literature:

With {Cu(2,9-dimethyl-1,10-phenanthroline)2}Cl₂; In acetonitrile; at 20 ℃; for 48h; Schlenk technique; Sealed tube; Inert atmosphere; Irradiation;

DOI:10.1002/ejoc.201900839

Reference yield:

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + 4-nitro-aniline (100-01-6,104810-17-5) → 1-((2-chloro-2-phenylethyl)sulfonyl)-4-nitrobenzene (30158-46-4)

Guidance literature:

With hydrogenchloride; copper chloride; sulfur dioxide; sodium nitrite; Yield given. Multistep reaction; 1) glacial acetic acid; 2) acetic acid-acetone, 15-20 deg C;

Reference yield:

→ 1-((2-chloro-2-phenylethyl)sulfonyl)-4-nitrobenzene (30158-46-4)

Guidance literature:

aus Styrol u. /BRN= 746543/;

DOI:10.1021/jo00816a033

upstream raw materials:

styrene

4-nitro-aniline

4-Nitrobenzenesulfonyl chloride