(E)-2-phenylethenesulfonamide

Base Information

• Chemical Name: (E)-2-phenylethenesulfonamide
• CAS No.: 4363-41-1
• Molecular Formula: C8H9 N O2 S
• Molecular Weight: 183.231
• Hs Code.: 2935009090
• NSC Number: 85560
• DSSTox Substance ID: DTXSID201305386
• Nikkaji Number: J378.011B,J957.947H
• Mol file: 4363-41-1.mol

Synonyms:(E)-2-phenylethenesulfonamide;4363-41-1;2-Phenyl-ethenesulfonic acid amide;64984-09-4;(E)-2-phenylethene-1-sulfonamide;2-phenylethene-1-sulfonamide;2-phenylethenesulfonamide;(1E)-2-phenylethene-1-sulfonamide;NSC85560;trans-beta-styrenesulfonamide;(E)-2-phenylethenesulonamide;SCHEMBL359805;(1E)-2-Phenylethenesulfonamide;2-phenyleth-1-ene-1-sulfonamide;2-Phenylethenesulfonic acid amide;CHEBI:167735;SHPHBMZZXHFXDF-VOTSOKGWSA-N;DTXSID201305386;HMS1433C08;CCG-52885;MFCD00118353;NSC-85560;AKOS000122496;IDI1_012143;trans-2-phenyl-ethenesulfonic acid amide;CS-0205769;EN300-07505;EN300-34667;SR-01000642089-1;Z45415579

Chemical Property of (E)-2-phenylethenesulfonamide

Chemical Property:

• Vapor Pressure: 2.18E-05mmHg at 25°C
• Melting Point: 137℃
• Boiling Point: 360.7°Cat760mmHg
• PKA: 10.03±0.60(Predicted)
• Flash Point: 171.9°C
• PSA: 68.54000
• Density: 1.321g/cm³
• LogP: 2.72690
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 183.03539970
• Heavy Atom Count: 12
• Complexity: 245

Purity/Quality:

98%min ^*data from raw suppliers

2-Phenylethenesulfonamide 97% ^*data from reagent suppliers

Safty Information:

• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C=CS(=O)(=O)N
• Isomeric SMILES: C1=CC=C(C=C1)/C=C/S(=O)(=O)N

Technology Process of (E)-2-phenylethenesulfonamide

There total 5 articles about (E)-2-phenylethenesulfonamide 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:

2-Chloroethanesulfonyl chloride (1622-32-8) + aniline (62-53-3) → 2-phenyleth-1-ene-1-sulfonamide (4363-41-1)

Guidance literature:

In dichloromethane; at 0 - 20 ℃; for 2h; Inert atmosphere;

DOI:10.1021/jm401251p

Reference yield:

2-Chlor-2-phenyl-ethansulfonylchlorid (29184-38-1) → 2-phenyleth-1-ene-1-sulfonamide (4363-41-1)

Guidance literature:

With ammonium hydroxide;

Reference yield:

β-styrenesulfonyl chloride (4091-26-3) → 2-phenyleth-1-ene-1-sulfonamide (4363-41-1)

Guidance literature:

With ammonia;

upstream raw materials:

2-Chlor-2-phenyl-ethansulfonylchlorid

β-styrenesulfonyl chloride

styrene

2-Chloroethanesulfonyl chloride

Downstream raw materials:

C₁₆H₂₂N₂O₅S

C₁₉H₂₀N₂O₅S

C₁₅H₂₂N₂O₃S

C₁₇H₂₆N₂O₃S

Refernces

• 1、 -. "Styrylsulfonamides". Page/Page column 28. . Retrieved 2010/11/24.