alpha,alpha-Dimethyl-4-nitrobenzyl phenyl sulfone

Base Information

• Chemical Name: alpha,alpha-Dimethyl-4-nitrobenzyl phenyl sulfone
• CAS No.: 70951-74-5
• Molecular Formula: C15H15NO4S
• Molecular Weight: 305.354
• European Community (EC) Number: 659-704-7
• DSSTox Substance ID: DTXSID40403016
• Nikkaji Number: J1.702.466C
• Wikidata: Q82206549
• Mol file: 70951-74-5.mol

Synonyms:70951-74-5;ALPHA,ALPHA-DIMETHYL-4-NITROBENZYL PHENYL SULFONE;Benzene, 1-[1-methyl-1-(phenylsulfonyl)ethyl]-4-nitro-;DTXSID40403016;AKOS024325051

Chemical Property of alpha,alpha-Dimethyl-4-nitrobenzyl phenyl sulfone

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 305.07217913
• Heavy Atom Count: 21
• Complexity: 461

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of alpha,alpha-Dimethyl-4-nitrobenzyl phenyl sulfone

There total 10 articles about alpha,alpha-Dimethyl-4-nitrobenzyl phenyl sulfone 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%

4-nitrocumyl chloride (14500-58-4) + sodium benzenesulfonate (873-55-2) → 2-[2-(4'-nitrophenyl)propyl] phenyl sulfone (70951-74-5)

Guidance literature:

With N,N,N,N,N,N-hexamethylphosphoric triamide; for 0.166667h; Ambient temperature;

DOI:10.1021/jo00378a008

Reference yield: 94.0%

2-nitro-2-(4-nitrophenyl)propane (3276-35-5) + sodium benzenesulfonate (873-55-2) → 2-[2-(4'-nitrophenyl)propyl] phenyl sulfone (70951-74-5)

Guidance literature:

With N,N,N,N,N,N-hexamethylphosphoric triamide; for 6h; Ambient temperature;

DOI:10.1021/jo00378a008

Reference yield: 80.0%

p-Nitrocumyl benzenesulfinate (75521-91-4) + sodium 4-methylbenzenesulfinate (824-79-3) → 2-[2-(4'-nitrophenyl)propyl] phenyl sulfone (70951-74-5) + p-Nitrocumyl p-tolyl sulfone (75506-57-9)

Guidance literature:

In N,N,N,N,N,N-hexamethylphosphoric triamide; for 0.25h; Irradiation;

DOI:10.1021/jo01314a014

upstream raw materials:

p-nitrocumyl phenyl sulfide

2-nitro-2-(4-nitrophenyl)propane

sodium benzenesulfonate

4-nitrocumyl chloride

Downstream raw materials:

p-nitrocumyl p-tert-butylphenyl sulfide

p-nitrocumyl p-tolyl sulfide

((2-phenylpropan-2-yl)sulfonyl)benzene

p-(1,1,2-trimethyl-2-nitropropyl)nitrobenzene

Refernces

• 1、 Kornblum, Nathan,Cheng, Leung,Davies, Thomas M.,Earl, Gary W.,Holy, Norman L.,Kerber, Robert C.,Kestner, Melvin M.,Manthey, Joseph W.,Musser, Michael T.,Pinnick, Harold W.,Snow, Donald H.,Stuchal, Francis W.,Swiger, Roger T.. "Electron-transfer substitution reactions: The p-nitrocumyl system". . p. 196 - 204. Retrieved 2007/10/02.