16-Bromohexadecyl prop-2-enoate

Base Information

• Chemical Name: 16-Bromohexadecyl prop-2-enoate
• CAS No.: 112231-61-5
• Molecular Formula: C19H35BrO2
• Molecular Weight: 375.39
• DSSTox Substance ID: DTXSID30551015
• Wikidata: Q82430521
• Mol file: 112231-61-5.mol

Synonyms:16-BROMOHEXADECYL PROP-2-ENOATE;112231-61-5;DTXSID30551015

Chemical Property of 16-Bromohexadecyl prop-2-enoate

Chemical Property:

• XLogP3: 8.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 18
• Exact Mass: 374.18204
• Heavy Atom Count: 22
• Complexity: 254

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CC(=O)OCCCCCCCCCCCCCCCCBr

Technology Process of 16-Bromohexadecyl prop-2-enoate

There total 1 articles about 16-Bromohexadecyl prop-2-enoate 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:

16-bromohexadecan-1-ol (59101-28-9) + acryloyl chloride (814-68-6,25189-84-8) → Acrylic acid 16-bromo-hexadecyl ester (112231-61-5)

Guidance literature:

With triethylamine; In dichloromethane; Ambient temperature;

DOI:10.1021/ja00250a036

Reference yield:

Acrylic acid 16-bromo-hexadecyl ester (112231-61-5) → hexadecyl acrylate (13402-02-3,25986-78-1)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium iodide / butan-2-one / 3 h / Heating

2: 19 percent / tertbutyltin hydride, AIBN / benzene / 3 h / Heating

With 2,2'-azobis(isobutyronitrile); tertbutyltin hydride; sodium iodide; In butanone; benzene;

DOI:10.1021/ja00250a036

upstream raw materials:

16-bromohexadecan-1-ol

acryloyl chloride

Downstream raw materials:

hexadecyl acrylate