Propanal, 2,2-dimethyl-3-[[(4-methylphenyl)sulfonyl]oxy]-

Base Information

• Chemical Name: Propanal, 2,2-dimethyl-3-[[(4-methylphenyl)sulfonyl]oxy]-
• CAS No.: 18516-19-3
• Molecular Formula: C12H16O4S
• Molecular Weight: 256.323
• European Community (EC) Number: 850-854-0
• DSSTox Substance ID: DTXSID60511248
• Wikidata: Q82369966
• Mol file: 18516-19-3.mol

Synonyms:18516-19-3;Propanal, 2,2-dimethyl-3-[[(4-methylphenyl)sulfonyl]oxy]-;2,2-DIMETHYL-3-[(4-METHYLBENZENESULFONYL)OXY]PROPANAL;(2,2-dimethyl-3-oxopropyl) 4-methylbenzenesulfonate;SCHEMBL10570986;DTXSID60511248;EN300-185337;2,2-Dimethyl-3-oxopropyl 4-methylbenzene-1-sulfonate;Z1884639008

Chemical Property of Propanal, 2,2-dimethyl-3-[[(4-methylphenyl)sulfonyl]oxy]-

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 256.07693016
• Heavy Atom Count: 17
• Complexity: 345

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC(C)(C)C=O

Technology Process of Propanal, 2,2-dimethyl-3-[[(4-methylphenyl)sulfonyl]oxy]-

There total 2 articles about Propanal, 2,2-dimethyl-3-[[(4-methylphenyl)sulfonyl]oxy]- 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: 82.0%

3-hydroxy-2,2-dimethylpropyl 4-methylbenzenesulfonate (21651-04-7) → 2,2-dimethyl-3-oxopropyl 4-methylbenzenesulfonate (18516-19-3)

Guidance literature:

With pyridinium chlorochromate; In dichloromethane; for 7h;

DOI:10.1021/jo00170a034

Reference yield:

→ 2,2-dimethyl-3-oxopropyl 4-methylbenzenesulfonate (18516-19-3)

Guidance literature:

2,2-Dimethyl-propanol-(1)-on-(3), wfr. Py., p-Toluolsulfonsaeurechlorid, 20grad, 12 h;

DOI:10.1039/jr9640004825

Reference yield: 96.0%

N-benzyloxyamine (622-33-3) + 2,2-dimethyl-3-oxopropyl 4-methylbenzenesulfonate (18516-19-3) → Toluene-4-sulfonic acid 3-benzyloxyimino-2,2-dimethyl-propyl ester (86043-98-3)

Guidance literature:

DOI:10.1016/S0040-4039(00)81539-7

upstream raw materials:

3-hydroxy-2,2-dimethylpropyl 4-methylbenzenesulfonate

Downstream raw materials:

2,3-dimethylpentan-2-ol

3,3-dimethyl-2-pentanol

Toluene-4-sulfonic acid (E)-2,2-dimethyl-5-oxo-hex-3-enyl ester

2,2-dimethyl-3-phenoxy propanal