Methyl 5-(benzenesulfonyl)pentanoate

Base Information

• Chemical Name: Methyl 5-(benzenesulfonyl)pentanoate
• CAS No.: 120383-55-3
• Molecular Formula: C12H16O4S
• Molecular Weight: 256.323
• DSSTox Substance ID: DTXSID80556191
• Nikkaji Number: J1.740.013D
• Wikidata: Q82437681
• Mol file: 120383-55-3.mol

Synonyms:METHYL 5-(BENZENESULFONYL)PENTANOATE;120383-55-3;DTXSID80556191

Chemical Property of Methyl 5-(benzenesulfonyl)pentanoate

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 256.07693016
• Heavy Atom Count: 17
• Complexity: 323

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CCCCS(=O)(=O)C1=CC=CC=C1

Technology Process of Methyl 5-(benzenesulfonyl)pentanoate

There total 1 articles about Methyl 5-(benzenesulfonyl)pentanoate 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: 98.0%

methanol (67-56-1) + 5-Benzenesulfonyl-pentanal (120383-44-0) → 5-Benzenesulfonyl-pentanoic acid methyl ester (120383-55-3)

Guidance literature:

With bromine; sodium hydrogencarbonate; In water; at 22 ℃; for 5h;

DOI:10.1016/S0040-4039(00)80686-3

upstream raw materials:

methanol

5-Benzenesulfonyl-pentanal