Ethyl 11-bromoundecanoate

Base Information

• Chemical Name: Ethyl 11-bromoundecanoate
• CAS No.: 6271-23-4
• Molecular Formula: C13H25 Br O2
• Molecular Weight: 293.244
• Hs Code.: 2915900090
• European Community (EC) Number: 653-977-6
• NSC Number: 36219
• DSSTox Substance ID: DTXSID60284203
• Nikkaji Number: J257.992H
• Wikidata: Q82019057
• Mol file: 6271-23-4.mol

Synonyms:Ethyl 11-bromoundecanoate;6271-23-4;11-Bromoundecanoic Acid Ethyl Ester;Ethyl11-bromoundecanoate;NSC36219;ethyl-11-bromoundecanoate;ARSENIC(III)BROMIDE;SCHEMBL52706;Ethyl 11-bromoundecanoate #;DTXSID60284203;11-bromoundecanoic acid-ethyl ester;AMY40754;MFCD00045048;NSC-36219;Undecanoic acid, 11-bromo-ethylester;AKOS024333956;AS-58456;B2242;FT-0636056;D88912

Chemical Property of Ethyl 11-bromoundecanoate

Chemical Property:

• Vapor Pressure: 0.000279mmHg at 25°C
• Melting Point: 30-31 °C(Solv: ligroine (8032-32-4))
• Refractive Index: 1.4600-1.4640
• Boiling Point: 322.5°C at 760 mmHg
• Flash Point: 169.6°C
• PSA: 26.30000
• Density: 1.128g/cm³
• LogP: 4.45530
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 12
• Exact Mass: 292.10379
• Heavy Atom Count: 16
• Complexity: 160

Purity/Quality:

98%,99%, ^*data from raw suppliers

Ethyl 11-Bromoundecanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOC(=O)CCCCCCCCCCBr

Technology Process of Ethyl 11-bromoundecanoate

There total 12 articles about Ethyl 11-bromoundecanoate 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%

ethyl 10-undecenenoate (692-86-4) → 11-bromoundecanoic acid ethyl ester (6271-23-4)

Guidance literature:

With hydrogen bromide; In 1,4-dioxane; hexane; at 20 ℃; for 1h;

DOI:10.1016/j.tetlet.2017.02.020

Reference yield: 96.0%

ethanol (64-17-5) + 11-bromoundecanoic acid (2834-05-1) → 11-bromoundecanoic acid ethyl ester (6271-23-4)

Guidance literature:

With toluene-4-sulfonic acid; for 8h; Reflux;

DOI:10.1246/bcsj.81.1518

Reference yield: 82.5%

11-bromodecanoic acid + 11-bromoundecanoic acid (2834-05-1) → 11-bromoundecanoic acid ethyl ester (6271-23-4)

Guidance literature:

With hydrogenchloride; In ethanol;

upstream raw materials:

ethanol

11-bromoundecanoic acid

ethyl 10-undecenenoate

11-bromoundecanoyl chloride

Downstream raw materials:

11-bromo-1,1-diphenyl-undec-1-ene

11-(2-oxo-cyclopentyl)-undecanoic acid

11-hydroxyundecanoic acid

1-Bromo-11-hydroxyundecane

Refernces

• 1、 Mostyn, Shannon N.,Carland, Jane E.,Shimmon, Susan,Ryan, Renae M.,Rawling, Tristan,Vandenberg, Robert J.. "Synthesis and Characterization of Novel Acyl-Glycine Inhibitors of GlyT2". . p. 1949 - 1959. Retrieved 2017/09/26.
• 2、 Galli, Marzia,Fletcher, Catherine J.,Del Pozo, Marc,Goldup, Stephen M.. "Scalable anti-Markovnikov hydrobromination of aliphatic and aromatic olefins". supporting information. p. 5622 - 5626. Retrieved 2016/07/06.