1,1-Bis(phenylsulfonyl)ethylene

Base Information

• Chemical Name: 1,1-Bis(phenylsulfonyl)ethylene
• CAS No.: 39082-53-6
• Molecular Formula: C14H12O4S2
• Molecular Weight: 308.379
• DSSTox Substance ID: DTXSID30308162
• Nikkaji Number: J327.140D
• Wikidata: Q82055880
• Mol file: 39082-53-6.mol

Synonyms:1,1-bis(phenylsulfonyl)ethylene

Chemical Property of 1,1-Bis(phenylsulfonyl)ethylene

Chemical Property:

• Melting Point: 124-126oC
• Boiling Point: 567.9oC at 760 mmHg
• Flash Point: 383.9oC
• PSA: 85.04000
• Density: 1.347g/cm3
• LogP: 4.56700
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 308.01770121
• Heavy Atom Count: 20
• Complexity: 487

Purity/Quality:

98%,99%, ^*data from raw suppliers

1,1-Bis(phenylsulfonyl)ethylene ≥98.0% (CH) ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C=C(S(=O)(=O)C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2
• Uses: 1,1-Bis(phenylsulfonyl)ethylene was used in the preparation of α,α-disubstituted alpha-amino acid derivatives.

Technology Process of 1,1-Bis(phenylsulfonyl)ethylene

There total 7 articles about 1,1-Bis(phenylsulfonyl)ethylene 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: 68.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + bis(phenylsulfonyl)methane (3406-02-8) → 1,1-bis(phenylsulfonyl)ethylene (39082-53-6)

Guidance literature:

With piperidine; In methanol; water; at 0 ℃; for 1.16667h; Inert atmosphere;

DOI:10.1002/anie.201007001

Reference yield:

1-(2,2-bis(phenylsulfonyl)ethyl)piperidine (39837-35-9) → 1,1-bis(phenylsulfonyl)ethylene (39082-53-6)

Guidance literature:

With hydrogenchloride; In benzene;

DOI:10.1021/jo00955a006

Reference yield:

bis(phenylthio)methane (3561-67-9) → 1,1-bis(phenylsulfonyl)ethylene (39082-53-6)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. H₂O₂, Ac₂O / acetic acid / Heating

2: piperidine, AcOH / toluene / 130 - 140 °C

With piperidine; dihydrogen peroxide; acetic anhydride; acetic acid; In acetic acid; toluene;

DOI:10.1007/BF00904510

upstream raw materials:

formaldehyd

bis(phenylsulfonyl)methane

1-(2,2-bis(phenylsulfonyl)ethyl)piperidine

bis(phenylthio)methane

Downstream raw materials:

4-(morpholinomethyl)morpholine

bis(phenylsulfonyl)methane

1,1,3,3,-tetrakis(phenylsulfonyl)propane

4-(2,2-Bis-benzenesulfonyl-ethyl)-morpholine