2-Propen-1-ol, 2-[(phenylsulfonyl)methyl]-

Base Information

• Chemical Name: 2-Propen-1-ol, 2-[(phenylsulfonyl)methyl]-
• CAS No.: 117037-30-6
• Molecular Formula: C10H12O3S
• Molecular Weight: 212.269
• DSSTox Substance ID: DTXSID00452606
• Mol file: 117037-30-6.mol

Synonyms:2-Propen-1-ol, 2-[(phenylsulfonyl)methyl]-;117037-30-6;DTXSID00452606

Chemical Property of 2-Propen-1-ol, 2-[(phenylsulfonyl)methyl]-

Chemical Property:

• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 212.05071541
• Heavy Atom Count: 14
• Complexity: 281

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Propen-1-ol, 2-[(phenylsulfonyl)methyl]-

There total 10 articles about 2-Propen-1-ol, 2-[(phenylsulfonyl)methyl]- 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: 63.0%

Formic acid 2-benzenesulfonylmethyl-allyl ester (117037-31-7) → 3-hydroxy 2-methylene propanesulfonyl benzene (117037-30-6)

Guidance literature:

With hydrogenchloride; In methanol; Ambient temperature;

Reference yield: 20.0%

3-(phenylsulfonyl)-2-methylenepropan-1-al (167390-74-1) → 3-hydroxy 2-methylene propanesulfonyl benzene (117037-30-6) + (S)-(+)-2-methyl-3-(phenylthio)propan-1-ol

Guidance literature:

With baker's yeast; D-glucose; In water; at 20 ℃; for 96h;

DOI:10.1016/S0957-4166(01)00383-4

Reference yield:

1-(phenylsulfonyl)-2-methyl-2-propene (49639-05-6) → 3-hydroxy 2-methylene propanesulfonyl benzene (117037-30-6)

Guidance literature:

Multi-step reaction with 3 steps

1: 58 percent / sulfuryl cloride / CH₂Cl₂ / Heating; 1.) 15 min; 2.) reflux 30 min

2: 100 percent / formic acid / 48 h / Heating

3: 63 percent / 1N HCl / methanol / Ambient temperature

With hydrogenchloride; formic acid; sulfuryl dichloride; In methanol; dichloromethane;

upstream raw materials:

Formic acid 2-benzenesulfonylmethyl-allyl ester

3-(phenylsulfonyl)-2-methylenepropan-1-al

3-phenylsulfanyl-propionaldehyde

3-(phenylthio)propionaldehyde diethyl acetal

Downstream raw materials:

4-(tert-butyldimethylsilyloxymethyl)-3-(phenylsulfonyl)pent-4-en-2-ol

4-((1R,3aR,6aR)-1-Benzenesulfonyl-5,5-dimethyl-2,4-dioxo-octahydro-pentalen-1-yl)-butyric acid ethyl ester

(3aR,4R,6aR)-4-Benzenesulfonyl-2,2-dimethyl-hexahydro-pentalene-1,5-dione

(3aR,4R,6aR)-4-Benzenesulfonyl-2,2-dimethyl-5-methylene-hexahydro-pentalen-1-one