Phenyl alpha-(nitromethyl)benzyl sulfide

Base Information

• Chemical Name: Phenyl alpha-(nitromethyl)benzyl sulfide
• CAS No.: 4231-84-9
• Molecular Formula: C14H13NO2S
• Molecular Weight: 259.329
• DSSTox Substance ID: DTXSID90464814
• Nikkaji Number: J254.383D
• Mol file: 4231-84-9.mol

Synonyms:4231-84-9;AGN-PC-008EDY;DTXSID90464814;Phenyl alpha-(nitromethyl)benzyl sulfide

Chemical Property of Phenyl alpha-(nitromethyl)benzyl sulfide

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 259.06669983
• Heavy Atom Count: 18
• Complexity: 255

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(C[N+](=O)[O-])SC2=CC=CC=C2

Technology Process of Phenyl alpha-(nitromethyl)benzyl sulfide

There total 5 articles about Phenyl alpha-(nitromethyl)benzyl sulfide 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: 99.0%

(2-nitroethenyl)benzene (102-96-5) + thiophenol (108-98-5) → (2-nitro-1-phenylethyl)(phenyl)sulfide (4231-84-9)

Guidance literature:

With C₂₃H₃₂F₆N₄O₂S₂; In dichloromethane; at -40 ℃; for 1h;

DOI:10.1002/adsc.201700109

Reference yield: 98.0%

nitrostyrene (5153-67-3) + thiophenol (108-98-5) → (2-nitro-1-phenylethyl)(phenyl)sulfide (4231-84-9)

Guidance literature:

In water; at 20 ℃; for 4h;

DOI:10.1016/j.tetlet.2007.12.042

Reference yield:

(2-nitroethenyl)benzene (102-96-5) + thiophenol (108-98-5) → phenyl(styryl)sulfane (7214-56-4) + (E)-[2-(phenylsulfanyl)vinyl]benzene (7214-53-1) + (2-nitro-1-phenylethyl)(phenyl)sulfide (4231-84-9)

Guidance literature:

In acetonitrile; for 3h; Reflux; Dry air;

DOI:10.1016/j.tet.2009.02.074

upstream raw materials:

nitrostyrene

thiophenol

(2-nitroethenyl)benzene

benzaldehyde

Refernces

• 1、 Wei, Qi,Hou, Wenduan,Liao, Na,Peng, Yungui. "Enantioselective Sulfa-Michael Addition of Aromatic Thiols to β-Substituted Nitroalkenes Promoted by a Chiral Multifunctional Catalyst". supporting information. p. 2364 - 2368. Retrieved 2017/07/22.
• 2、 Chun, Supill,Chung, Junyong,Park, Ji Eun,Chung, Young Keun. "Hydrothiolation of Alkenes and Alkynes Catalyzed by 3,4-Dimethyl-5-vinylthiazolium iodide and Poly(3,4-dimethyl-5-vinylthiazolium) iodide". . p. 2476 - 2481. Retrieved 2016/08/24.