1-Ethenylsulfanyl-4-nitrobenzene

Base Information

• Chemical Name: 1-Ethenylsulfanyl-4-nitrobenzene
• CAS No.: 42150-17-4
• Molecular Formula: C8H7NO2S
• Molecular Weight: 181.215
• DSSTox Substance ID: DTXSID70522269
• Nikkaji Number: J376.752C
• Wikidata: Q82387397
• Mol file: 42150-17-4.mol

Synonyms:1-ethenylsulfanyl-4-nitrobenzene;42150-17-4;SCHEMBL17629196;DTXSID70522269;1-nitro-4-(vinylsulfanyl)benzene;1-(Ethenylsulfanyl)-4-nitrobenzene

Chemical Property of 1-Ethenylsulfanyl-4-nitrobenzene

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 181.01974964
• Heavy Atom Count: 12
• Complexity: 170

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CSC1=CC=C(C=C1)[N+](=O)[O-]

Technology Process of 1-Ethenylsulfanyl-4-nitrobenzene

There total 6 articles about 1-Ethenylsulfanyl-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: 18.6%

para-nitrophenyl bromide (586-78-7) + acetylene (74-86-2,25067-58-7) → divinyl sulfide (627-51-0) + p-nitrophenyl vinyl sulphide (42150-17-4) + 4-aminophenyl vinyl sulfide (63930-39-2) + 4-bromo-aniline (106-40-1)

Guidance literature:

With sodium sulfide; In dimethyl sulfoxide; at 100 ℃;

Reference yield:

para-nitrophenyl bromide (586-78-7) + acetylene (74-86-2,25067-58-7) → p-nitrophenyl vinyl sulphide (42150-17-4) + bis(4-nitrophenyl)sulfide (1223-31-0)

Guidance literature:

With sodium sulfide; In dimethyl sulfoxide; at 50 ℃;

Reference yield:

ethylene dibromide (106-93-4) + para-nitrobenzenethiol (1849-36-1) → p-nitrophenyl vinyl sulphide (42150-17-4)

Guidance literature:

para-nitrobenzenethiol; With sodium ethanolate; In ethanol; at 20 ℃; for 0.5h; Inert atmosphere;

ethylene dibromide; In ethanol; at 0 - 20 ℃; for 2h; Inert atmosphere;

With sodium ethanolate; In ethanol; Reflux; Inert atmosphere;

DOI:10.1021/acs.orglett.5b02139

upstream raw materials:

(2-chloro-ethyl)-(4-nitro-phenyl)-sulfide

sodium ethenethiolate

para-nitrophenyl bromide

acetylene

Downstream raw materials:

1-(1,2-Dibromo-ethylsulfanyl)-4-nitro-benzene

ethynyl(4-nitrophenyl)sulfane

p-nitrophenylsulphinylethyne