Ethyl 12-bromododecanoate

Base Information

• Chemical Name: Ethyl 12-bromododecanoate
• CAS No.: 72338-48-8
• Molecular Formula: C14H27BrO2
• Molecular Weight: 307.271
• DSSTox Substance ID: DTXSID70597270
• Wikidata: Q82492779
• Mol file: 72338-48-8.mol

Synonyms:ethyl 12-bromododecanoate;72338-48-8;Dodecanoic acid, 12-bromo-, ethyl ester;ethyl12-bromododecanoate;C14H27BrO2;SCHEMBL4234655;DTXSID70597270;DYFVMVODIGRODW-UHFFFAOYSA-N;MFCD30470568;AKOS030524957;BS-52154;DB-208584;CS-0187390

Chemical Property of Ethyl 12-bromododecanoate

Chemical Property:

• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 13
• Exact Mass: 306.11944
• Heavy Atom Count: 17
• Complexity: 172

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)CCCCCCCCCCCBr

Technology Process of Ethyl 12-bromododecanoate

There total 7 articles about Ethyl 12-bromododecanoate 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: 92.0%

12-hydroxydodecanoic acid ethyl ester (78640-13-8) → 12-Bromododecanoic acid ethyl ester (72338-48-8)

Guidance literature:

With N-Bromosuccinimide; triphenylphosphine; In dichloromethane; Inert atmosphere;

Reference yield: 90.0%

ethanol (64-17-5) + 12-bromododecanoic acid (73367-80-3) → 12-Bromododecanoic acid ethyl ester (72338-48-8)

Guidance literature:

With acetyl chloride; In ethanol; at 20 ℃; for 3h;

Reference yield:

12-hydroxydodecanoic acid (505-95-3) → 12-Bromododecanoic acid ethyl ester (72338-48-8)

Guidance literature:

Multi-step reaction with 2 steps

1: acetyl chloride / Heating

2: N-bromosuccinimide; PPh₃ / CH₂Cl₂ / Heating

With N-Bromosuccinimide; acetyl chloride; triphenylphosphine; In dichloromethane;

DOI:10.1021/ja029008u

upstream raw materials:

ethanol

12-bromododecanoic acid

12-hydroxydodecanoic acid ethyl ester

12-hydroxydodecanoic acid

Downstream raw materials:

(13Z)-octadec-13-enoic acid

19-cis-Docosensaeure

12-fluoro-dodecanoic acid ethyl ester

Refernces

• 1、 Houston, Christopher T.,Reilly, James P.. "Photoionization studies of chromophore-labeled amino acids and peptides". . p. 10383 - 10391. Retrieved 2000.
• 2、 -. "NOVEL GLYCINE TRANSPORT INHIBITORS FOR THE TREATMENT OF PAIN". Page/Page column 48. . Retrieved 2018/08/12.
• 3、 -. "OMEGA-3 ANALOGUES". Page/Page column 14; 34. . Retrieved 2015/12/11.