(2-Methyl-prop-2-ene-1-sulfonyl)-benzene

Base Information

• Chemical Name: (2-Methyl-prop-2-ene-1-sulfonyl)-benzene
• CAS No.: 49639-05-6
• Molecular Formula: C10H12O2S
• Molecular Weight: 196.27
• DSSTox Substance ID: DTXSID00350613
• Nikkaji Number: J765.493F
• Wikidata: Q82126655
• Mol file: 49639-05-6.mol

Synonyms:49639-05-6;(2-methyl-prop-2-ene-1-sulfonyl)-benzene;HMS1546A01;Methallyl Phenyl Sulfone;TimTec1_004225;2-methylallyl phenyl sulfone;SCHEMBL6654245;DTXSID00350613;OFHZALKLLSXZST-UHFFFAOYSA-N;AKOS003402980;SR-01000511043;SR-01000511043-1

Chemical Property of (2-Methyl-prop-2-ene-1-sulfonyl)-benzene

Chemical Property:

• Melting Point: 42-43 °C
• Boiling Point: 120-121 °C(Press: 1 Torr)
• PSA: 42.52000
• Density: 1.1621 g/cm3
• LogP: 3.11720
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 196.05580079
• Heavy Atom Count: 13
• Complexity: 266

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (2-Methyl-prop-2-ene-1-sulfonyl)-benzene

There total 35 articles about (2-Methyl-prop-2-ene-1-sulfonyl)-benzene 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%

sodium benzenesulfonate (873-55-2) + 3-Chloro-2-methylpropene (563-47-3) → 1-(phenylsulfonyl)-2-methyl-2-propene (49639-05-6)

Guidance literature:

In methanol;

Reference yield: 95.0%

Benzenesulfinic acid (618-41-7) + 3-hydroxy-2-methyl-1-propene (513-42-8) → 1-(phenylsulfonyl)-2-methyl-2-propene (49639-05-6)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; calcium(II) bis(trifluoromethanesulfonyl)imide; In N,N-dimethyl acetamide; at 30 ℃; Schlenk technique; Inert atmosphere; Green chemistry;

DOI:10.1021/acs.orglett.0c01747

Reference yield: 93.0%

1-iodoadamantane (768-93-4) + 1,1,1,3,3,3-hexamethyl-2-(2-methylallyl)-2-(trimethylsilyl)trisilane (182123-92-8) + (E)-phenylsulfonylmethanal O-benzyl oxime → 1-(phenylsulfonyl)-2-methyl-2-propene (49639-05-6) + adamantane-1-carbaldehyde O-benzyl-oxime

Guidance literature:

With di-tert-butyl peroxide; In tert-butylbenzene; at 140 ℃; for 3h; Inert atmosphere;

DOI:10.1002/chem.201101842

upstream raw materials:

1-Nitro-2-methyl-1-propen

sodium benzenesulfonate

(2-methylallyl)(phenyl)sulfane

3-Chloro-2-methylpropene

Downstream raw materials:

(3S,5S)-3-Benzenesulfonyl-2-methyl-nona-1,8-dien-5-ol

(3S,5R)-3-Benzenesulfonyl-2-methyl-nona-1,8-dien-5-ol

C₁₉H₂₁NO₄S

C₁₉H₂₁NO₄S