1-(Ethanesulfonyl)-4-nitrobenzene

Base Information

• Chemical Name: 1-(Ethanesulfonyl)-4-nitrobenzene
• CAS No.: 7205-81-4
• Molecular Formula: C8H9NO4S
• Molecular Weight: 215.23
• DSSTox Substance ID: DTXSID90368742
• Wikidata: Q82155525
• Mol file: 7205-81-4.mol

Synonyms:1-(ETHANESULFONYL)-4-NITROBENZENE;7205-81-4;1-ethylsulfonyl-4-nitrobenzene;1-(ethylsulfonyl)-4-nitrobenzene;SCHEMBL2296287;DTXSID90368742;CWGQPJLXSDTODA-UHFFFAOYSA-N;AKOS022797306;BS-24595;Z57054222

Chemical Property of 1-(Ethanesulfonyl)-4-nitrobenzene

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 215.02522894
• Heavy Atom Count: 14
• Complexity: 292

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(Ethanesulfonyl)-4-nitrobenzene

There total 10 articles about 1-(Ethanesulfonyl)-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: 95.0%

1-(ethylsulfanyl)-4-nitrobenzene (7205-60-9) → 1-(ethylsulfonyl)-4-nitrobenzene (7205-81-4)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; for 3h;

DOI:10.1021/jm970036a

Reference yield: 52.0%

sodium ethanesulfonate (5324-47-0) + 4-nitrophenylhydrazone (100-16-3) → 1-(ethylsulfonyl)-4-nitrobenzene (7205-81-4)

Guidance literature:

With tetrakis(tetrabutylammonium)decatungstate(VI); oxygen; caesium carbonate; In dimethyl sulfoxide; for 12h; UV-irradiation;

Reference yield: 40.0%

1-(ethylsulfanyl)-4-nitrobenzene (7205-60-9) → ethanol (64-17-5) + 1-(ethylsulfonyl)-4-nitrobenzene (7205-81-4) + (R,S)-1-(ethylsulfinyl)-4-nitrobenzene (7205-70-1) + 4-Nitrobenzenesulfonic acid ethyl ester (15481-55-7) + acetaldehyde (75-07-0,9002-91-9)

Guidance literature:

With oxygen; In chloroform-d1; at 35 ℃; Mechanism; Irradiation; other 4-nitrophenyl sulfides and sulfoxides, kinetic isotope effect k_H/k_D;

DOI:10.1021/ja00099a015

upstream raw materials:

1-(ethylsulfanyl)-4-nitrobenzene

4-Fluoronitrobenzene

sodium 4-nitrobenzenethiolate

(R,S)-1-(ethylsulfinyl)-4-nitrobenzene

Downstream raw materials:

5-nitro-5-(4'-ethylsulfonylphenyl)-1,3-dioxane

(4-Aminophenyl)-aethyl-sulfon

Refernces

• 1、 -. "3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF". Paragraph 00309. . Retrieved 2017/10/06.
• 2、 Hanson, Peter,Hendrickx, Ramon A. A. J.,Lindsay Smith, John R.. "A kinetic investigation, supported by theoretical calculations, of steric and ring strain effects on the oxidation of sulfides and sulfoxides by dimethyldioxirane in acetone". . p. 65 - 84. Retrieved 2011/01/07.