2-[(Benzenesulfonyl)methyl]-4-fluoro-1-nitrobenzene

Base Information

• Chemical Name: 2-[(Benzenesulfonyl)methyl]-4-fluoro-1-nitrobenzene
• CAS No.: 89303-18-4
• Molecular Formula: C13H10FNO4S
• Molecular Weight: 295.291
• DSSTox Substance ID: DTXSID90525131
• Wikidata: Q82392484
• Mol file: 89303-18-4.mol

Synonyms:89303-18-4;SCHEMBL3531624;DTXSID90525131;JUJNRYMMUSVJEW-UHFFFAOYSA-N;2-Benzenesulfonylmethyl-4-fluoro-1-nitrobenzene;4-nitro-3-(phenylsulfonylmethyl)-fluorobenzene;2-[(Benzenesulfonyl)methyl]-4-fluoro-1-nitrobenzene

Chemical Property of 2-[(Benzenesulfonyl)methyl]-4-fluoro-1-nitrobenzene

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 295.03145714
• Heavy Atom Count: 20
• Complexity: 436

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-[(Benzenesulfonyl)methyl]-4-fluoro-1-nitrobenzene

There total 5 articles about 2-[(Benzenesulfonyl)methyl]-4-fluoro-1-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: 100.0%

chloromethyl phenyl sulfone (7205-98-3) + 4-Fluoronitrobenzene (350-46-9,178603-76-4) → 2-Benzenesulfonylmethyl-4-fluoro-1-nitro-benzene (89303-18-4)

Guidance literature:

With potassium tert-butylate; for 0.333333h; Inert atmosphere;

DOI:10.1002/chem.200800821

Reference yield: 18.0%

chloromethyl phenyl sulfone (7205-98-3) + 4-Fluoronitrobenzene (350-46-9,178603-76-4) → α-Chloro-4-nitrobenzyl phenyl sulfone (7693-38-1) + 2-Benzenesulfonylmethyl-4-fluoro-1-nitro-benzene (89303-18-4)

Guidance literature:

With potassium tert-butylate; In dimethyl sulfoxide; at 21 ℃; for 0.166667h;

DOI:10.1021/jo00169a067

Reference yield:

isopropyl 4-nitrobenzoate (13756-40-6) + chloromethyl phenyl sulfone (7205-98-3) + 4-Fluoronitrobenzene (350-46-9,178603-76-4) → C17H17NO6S (1105738-83-7) + 2-Benzenesulfonylmethyl-4-fluoro-1-nitro-benzene (89303-18-4)

Guidance literature:

With potassium tert-butylate; In tetrahydrofuran; N,N-dimethyl-formamide; at -40 ℃; for 0.00416667h; Inert atmosphere;

DOI:10.1002/chem.200800821

upstream raw materials:

chloromethyl phenyl sulfone

4-Fluoronitrobenzene

1-methyl-5-nitro-1H-imidazole

isopropyl 4-nitrobenzoate

Downstream raw materials:

3-benzenesulfonyl-5-fluoro-1H-indole

2-(3-benzenesulfonylmethyl-4-nitro-phenoxy)-ethanol