2-(4-Bromophenyl)-2-oxoethyl hexanoate

Base Information

• Chemical Name: 2-(4-Bromophenyl)-2-oxoethyl hexanoate
• CAS No.: 15441-45-9
• Molecular Formula: C14H17BrO3
• Molecular Weight: 313.191
• DSSTox Substance ID: DTXSID10549394
• Nikkaji Number: J1.396.174C
• Wikidata: Q82428429
• Mol file: 15441-45-9.mol

Synonyms:15441-45-9;DTXSID10549394;2-(4-BROMOPHENYL)-2-OXOETHYL HEXANOATE

Chemical Property of 2-(4-Bromophenyl)-2-oxoethyl hexanoate

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 312.03611
• Heavy Atom Count: 18
• Complexity: 270

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(=O)OCC(=O)C1=CC=C(C=C1)Br

Technology Process of 2-(4-Bromophenyl)-2-oxoethyl hexanoate

There total 3 articles about 2-(4-Bromophenyl)-2-oxoethyl hexanoate 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:

para-bromophenacyl bromide (99-73-0,132309-76-3) + 2-((E)-Hept-1-enyl)-1-(toluene-4-sulfonyl)-pyrrolidine (897388-17-9) → hexanoic acid p-bromophenacyl ester (15441-45-9) + 1-(Toluene-4-sulfonyl)-pyrrolidine-2-carboxylic acid 2-(4-bromo-phenyl)-2-oxo-ethyl ester

Guidance literature:

With potassium permanganate; sodium periodate; Yield given. Multistep reaction. Yields of byproduct given; 1.) 24 h, 2.) MeCN, reflux, 1 h;

DOI:10.1039/a608180k

Reference yield:

para-bromophenacyl bromide (99-73-0,132309-76-3) + 2-((E)-Hept-1-enyl)-1-methanesulfonyl-piperidine → hexanoic acid p-bromophenacyl ester (15441-45-9) + p-bromophenacyl N-mesylpipecolate

Guidance literature:

With perhydrodibenzo-18-crown-6; potassium permanganate; sodium periodate; potassium carbonate; Yield given. Multistep reaction. Yields of byproduct given; 1.) dioxane, RT, 80 h, 2.) acetonitrile, reflux, 1 h;

Reference yield:

→ hexanoic acid p-bromophenacyl ester (15441-45-9)

Guidance literature:

3,9,12-Octadecatriencarbonsaeure, KMnO4, entspr. p-Br-Phenacylbromid;

DOI:10.1007/BF02558255

upstream raw materials:

para-bromophenacyl bromide

2-((E)-Hept-1-enyl)-1-(toluene-4-sulfonyl)-pyrrolidine