Benzene, 1-nitro-4-(2-propenylsulfonyl)-

Base Information

• Chemical Name: Benzene, 1-nitro-4-(2-propenylsulfonyl)-
• CAS No.: 3729-43-9
• Molecular Formula: C9H9NO4S
• Molecular Weight: 227.241
• DSSTox Substance ID: DTXSID30358445
• Nikkaji Number: J747.653A
• Wikidata: Q82139010
• Mol file: 3729-43-9.mol

Synonyms:3729-43-9;Benzene, 1-nitro-4-(2-propenylsulfonyl)-;DTXSID30358445;STK897529;AKOS003666369;1-nitro-4-(prop-2-en-1-ylsulfonyl)benzene;SR-01000254264;SR-01000254264-1

Chemical Property of Benzene, 1-nitro-4-(2-propenylsulfonyl)-

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 227.02522894
• Heavy Atom Count: 15
• Complexity: 330

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzene, 1-nitro-4-(2-propenylsulfonyl)-

There total 10 articles about Benzene, 1-nitro-4-(2-propenylsulfonyl)- 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: 59.0%

3-chloroprop-1-ene (107-05-1) + 4-Nitrobenzenesulfonyl chloride (98-74-8) → Allyl 4-nitrophenyl sulfone (3729-43-9)

Guidance literature:

4-Nitrobenzenesulfonyl chloride; With magnesium; zinc(II) chloride; In tetrahydrofuran; at 25 ℃; for 1h; Inert atmosphere; Schlenk technique; Sonication;

3-chloroprop-1-ene; With sodium iodide; In tetrahydrofuran; dimethyl sulfoxide; at 60 ℃; for 1h; Inert atmosphere; Schlenk technique; Sonication;

DOI:10.1039/c7ob00251c

Reference yield: 15.0%

p-nitrobenzenesulfonyl azide (73901-01-6,4547-62-0) + allytriphenyltin (76-63-1) → p-nitrobenzenesulfonamide (6325-93-5) + Allyl 4-nitrophenyl sulfone (3729-43-9) + N-allyl-p-nitrobenzenesulfonamide (100704-44-7)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); In benzene; for 3h; Heating;

DOI:10.1039/p19960001493

Reference yield:

4,5-Epoxy-2-methyl-2-pentyl 4-nitrobenzenesulfenate (161941-53-3) → α,α dimethyloxiranne ethoxybutyletain (32932-25-5) + di(p-nitrophenyl) disulfide (100-32-3) + allyl 4-nitrophenyl sulfide (32894-70-5) + S-4-nitrophenyl 4-nitrobenzenesulfinothioate (116082-98-5) + Allyl 4-nitrophenyl sulfone (3729-43-9) + allyl alcohol (107-18-6)

Guidance literature:

In chloroform-d1; at 60 ℃; Mechanism; Irradiation;

DOI:10.1021/jo00102a057

upstream raw materials:

allyl 4-nitrophenyl sulfide

3-(p-nitrophenylsulfinyl)prop-1-ene

Allyl 4-nitrobenzenesulfinate

4,5-Epoxy-2-methyl-2-pentyl 4-nitrobenzenesulfenate

Downstream raw materials:

4-nitrophenyl 4-toluenesulfonate

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