Phenyl prop-1-ynyl sulphone

Base Information

• Chemical Name: Phenyl prop-1-ynyl sulphone
• CAS No.: 2525-41-9
• Molecular Formula: C9H8 O2 S
• Molecular Weight: 180.227
• NSC Number: 168905
• DSSTox Substance ID: DTXSID80179905
• Nikkaji Number: J385.800F
• Wikidata: Q83050411
• ChEMBL ID: CHEMBL2006209
• Mol file: 2525-41-9.mol

Synonyms:Phenyl prop-1-ynyl sulphone;2525-41-9;NSC168905;propynyl phenyl sulfone;1-phenylsulphonylpropyne;Phenyl(1-propynyl) sulfone;SCHEMBL6096070;CHEMBL2006209;DTXSID80179905;NSC 168905;NSC-168905

Chemical Property of Phenyl prop-1-ynyl sulphone

Chemical Property:

• Vapor Pressure: 0.00157mmHg at 25°C
• Boiling Point: 304.5°Cat760mmHg
• Flash Point: 162.7°C
• Density: 1.221g/cm³
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 180.02450067
• Heavy Atom Count: 12
• Complexity: 290

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC#CS(=O)(=O)C1=CC=CC=C1

Technology Process of Phenyl prop-1-ynyl sulphone

There total 9 articles about Phenyl prop-1-ynyl sulphone 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:

trimethyl(prop-1-ynyl)silane (6224-91-5) + benzenesulfonyl chloride (98-09-9) → 1-(phenylsulfonyl)propyne (2525-41-9)

Guidance literature:

With aluminum (III) chloride; Inert atmosphere;

DOI:10.1021/acs.joc.8b00177

Reference yield:

1-phenylthio-1-propyne (6212-77-7) → 1-(phenylsulfonyl)propyne (2525-41-9)

Guidance literature:

With dihydrogen peroxide; acetic acid;

DOI:10.1021/ja01599a065

Reference yield:

cis-1,2-bis-phenylsulfanyl-ethylene (18893-62-4) → 1-(phenylsulfonyl)propyne (2525-41-9)

Guidance literature:

Multi-step reaction with 3 steps

1: butyl lithium; diethyl ether

2: butyl lithium; diethyl ether

3: aqueous hydrogen peroxide; acetic acid

With n-butyllithium; diethyl ether; dihydrogen peroxide; acetic acid;

DOI:10.1021/ja01599a065

upstream raw materials:

1-phenylthio-1-propyne

1-(Phenylsulfonyl)-2-(trimethylsilyl)acetylene

methyl iodide

benzenesulfonyl chloride

Downstream raw materials:

4-methoxy-benzaldehyde

1-(2-(4-methoxyphenyl)-1H-indol-3-yl)ethanone

3-(4-methoxyphenyl)-5-methyl-2-phenyl-4-phenylsulfonyl-2,3-dihydroisoxazole

1,3-diphenyl-4-(phenylsulfonyl)-5-methylpyrazole