Acetonitrile, (phenylsulfinyl)-

Base Information

• Chemical Name: Acetonitrile, (phenylsulfinyl)-
• CAS No.: 17665-58-6
• Molecular Formula: C8H7NOS
• Molecular Weight: 165.216
• DSSTox Substance ID: DTXSID80385029
• Nikkaji Number: J515.688B
• Mol file: 17665-58-6.mol

Synonyms:17665-58-6;Acetonitrile, (phenylsulfinyl)-;Maybridge4_002959;Phenylsulfinylacetonitrile;benzenesulfinyl-acetonitrile;(phenylsulfinyl)acetonitrile;cyanomethyl phenyl sulfoxide;SCHEMBL4909607;2-(benzenesulfinyl)-acetonitrile;DTXSID80385029;HMS1529G11;AKOS014016873;NCGC00176367-01;BRD-A09071966-001-01-9

Chemical Property of Acetonitrile, (phenylsulfinyl)-

Chemical Property:

• PSA: 60.07000
• LogP: 2.18348
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 165.02483502
• Heavy Atom Count: 11
• Complexity: 188

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)S(=O)CC#N

Technology Process of Acetonitrile, (phenylsulfinyl)-

There total 10 articles about Acetonitrile, (phenylsulfinyl)- 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: 97.0%

(phenylthio)acetonitrile (5219-61-4) → benzenesulfinyl-acetonitrile (17665-58-6)

Guidance literature:

With dihydrogen peroxide; In methanol; at 20 ℃; for 5.33333h;

DOI:10.1080/17415993.2010.544041

Reference yield: 60.0%

(phenylthio)acetaldehyde oxime → benzenesulfinyl-acetonitrile (17665-58-6)

Guidance literature:

With 4 A molecular sieve; benzyltrimethylazanium tetrachloro-λ³-iodanuide; In dichloromethane; at 20 ℃; for 0.0833333h;

DOI:10.1016/S0040-4020(99)01047-9

Reference yield: 44.0%

(phenylthio)acetonitrile (5219-61-4) → benzenesulfinyl-acetonitrile (17665-58-6) + diphenyldisulfane (882-33-7)

Guidance literature:

With iodoxybenzene; bis(acetylacetonate)oxovanadium; In benzene; Product distribution; Heating;

upstream raw materials:

(phenylthio)acetonitrile

thiophenol

sodium thiophenolate

Downstream raw materials:

cyano(phenylthio)methyl acetate

(E)-4-hydroxy-5-phenylpent-2-enenitrile

phenyl (2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl) disulfide

N-[(1,1-dimethylethoxy)carbonyl]-S-phenylthio-L-cysteine