Benzene, [(2-nitroethenyl)thio]-, (E)-

Base Information

• Chemical Name: Benzene, [(2-nitroethenyl)thio]-, (E)-
• CAS No.: 101933-27-1
• Molecular Formula: C8H7NO2S
• Molecular Weight: 181.215
• Mol file: 101933-27-1.mol

Synonyms:(E)-1-nitro-2-(phenylthio)ethylene;(E)-1-nitro-2-phenylthioethene;1-nitro-2-(phenylthio)ethylene;

Chemical Property of Benzene, [(2-nitroethenyl)thio]-, (E)-

Chemical Property:

• Boiling Point: 288.5±32.0 °C(Predicted)
• PSA: 71.12000
• Density: 1.26±0.1 g/cm3(Predicted)
• LogP: 3.04980

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzene, [(2-nitroethenyl)thio]-, (E)-

There total 8 articles about Benzene, [(2-nitroethenyl)thio]-, (E)- 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: 50.0%

2-nitroethyl acetate (18942-89-7) + thiophenol (108-98-5) → (E)-β-phenylthionitroethylene (101933-27-1)

Guidance literature:

2-nitroethyl acetate; thiophenol; With triethylamine; In acetonitrile; at 0 ℃; for 0.666667h;

With sulfuryl dichloride; In dichloromethane; at 0 ℃; for 0.0833333h;

With triethylamine; In dichloromethane; at 0 ℃; for 0.5h;

DOI:10.1021/acs.orglett.9b03209

Reference yield:

phenylthioethylene (1822-73-7) → (E)-β-phenylthionitroethylene (101933-27-1) + (Z)-1-nitro-2-phenylthioethylene (130521-15-2)

Guidance literature:

With nitrosyl hydride; In 1,2-dichloro-ethane; at 20 ℃; for 24h; under 1500.15 Torr; optical yield given as %de; regioselective reaction; Inert atmosphere; Autoclave;

DOI:10.1002/adsc.200800509

Reference yield:

1-nitro-2-(phenylthio)ethane (52809-70-8) → (E)-β-phenylthionitroethylene (101933-27-1)

Guidance literature:

With sulfuryl dichloride; triethylamine; Yield given. Multistep reaction; 1) CH₂Cl₂, 0 degC, 10 min, 2) 0 degC, 30 min;

DOI:10.1016/S0040-4039(00)84323-3

upstream raw materials:

1-nitro-2-(phenylthio)ethane

2-nitroethyl acetate

thiophenol

2-(phenylthio)ethanol

Downstream raw materials:

(E)-1-nitro-2-(phenylsulfonyl)ethylene

(E)-1-nitro-2-(phenylsulfinyl)ethylene

5-Nitro-6-phenylsulfanyl-bicyclo[2.2.1]hept-2-ene

3-cyanoindolizine