Benzene, 4-fluoro-2-[[(4-methylphenyl)sulfonyl]methyl]-1-nitro-

Base Information

• Chemical Name: Benzene, 4-fluoro-2-[[(4-methylphenyl)sulfonyl]methyl]-1-nitro-
• CAS No.: 133191-70-5
• Molecular Formula: C14H12FNO4S
• Molecular Weight: 309.318
• DSSTox Substance ID: DTXSID00454807
• Nikkaji Number: J1.701.640G
• Wikidata: Q82276557
• Mol file: 133191-70-5.mol

Synonyms:133191-70-5;Benzene, 4-fluoro-2-[[(4-methylphenyl)sulfonyl]methyl]-1-nitro-;Oprea1_163550;DTXSID00454807;1-Nitro-2-(tosylmethyl)-4-fluorobenzene

Chemical Property of Benzene, 4-fluoro-2-[[(4-methylphenyl)sulfonyl]methyl]-1-nitro-

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 309.04710720
• Heavy Atom Count: 21
• Complexity: 462

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)CC2=C(C=CC(=C2)F)[N+](=O)[O-]

Technology Process of Benzene, 4-fluoro-2-[[(4-methylphenyl)sulfonyl]methyl]-1-nitro-

There total 2 articles about Benzene, 4-fluoro-2-[[(4-methylphenyl)sulfonyl]methyl]-1-nitro- 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:

chloromethyl p-tolylsulfone (7569-26-8) + 4-Fluoronitrobenzene (350-46-9,178603-76-4) → 5-fluoro-2-nitrobenzyl 4-methylphenyl sulfone (133191-70-5)

Guidance literature:

With potassium tert-butylate; In tetrahydrofuran;

DOI:10.1021/jo010590z

Reference yield:

2,4-Difluoronitrobenzene (446-35-5) + chloromethyl p-tolylsulfone (7569-26-8) → 5-fluoro-2-nitrobenzyl 4-methylphenyl sulfone (133191-70-5) + chloro(5-fluoro-2-nitrophenyl)methyl 4-methylphenyl sulfone + 3,5-difluoro-2-nitrobenzyl 4-methylphenyl sulfone

Guidance literature:

With potassium tert-butylate; In N,N-dimethyl-formamide; at -40 ℃; for 0.00277778h; Product distribution;

DOI:10.1021/jo010590z

Reference yield:

5-fluoro-2-nitrobenzyl 4-methylphenyl sulfone (133191-70-5) → 5-fluoro-2-nitrobenzaldehyde (395-81-3)

Guidance literature:

With sodium hydride; 1-oxa-2-azaspiro[2.5]octane; Yield given. Multistep reaction; 1) DMF, 15 min 2) toluene, 15 min;

upstream raw materials:

2,4-Difluoronitrobenzene

chloromethyl p-tolylsulfone

4-Fluoronitrobenzene

Downstream raw materials:

5-fluoro-2-nitrobenzaldehyde