2-Bromoethyl pentanoate

Base Information

• Chemical Name: 2-Bromoethyl pentanoate
• CAS No.: 5451-78-5
• Molecular Formula: C7H13 Br O2
• Molecular Weight: 209.083
• NSC Number: 21859
• DSSTox Substance ID: DTXSID80281512
• Nikkaji Number: J1.312.825A
• Wikidata: Q82015484
• Mol file: 5451-78-5.mol

Synonyms:2-bromoethyl pentanoate;5451-78-5;NSC21859;2-bromoethylpentanoate;SCHEMBL11786268;DTXSID80281512;NSC-21859;EN300-1478550

Chemical Property of 2-Bromoethyl pentanoate

Chemical Property:

• Vapor Pressure: 0.0893mmHg at 25°C
• Boiling Point: 224.8°C at 760 mmHg
• Flash Point: 111.5°C
• Density: 1.3g/cm³
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 208.00989
• Heavy Atom Count: 10
• Complexity: 93.6

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(=O)OCCBr

Technology Process of 2-Bromoethyl pentanoate

There total 3 articles about 2-Bromoethyl 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: 82.0%

2-butyl-1,3-dioxolane (4360-76-3) → valeric acid-(2-bromo-ethyl ester) (5451-78-5)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); Bromoform; In benzene; for 5h; Heating;

DOI:10.1080/00397919708005032

Reference yield:

pentanoic anhydride (2082-59-9) + 2-bromoethanol (540-51-2) → valeric acid-(2-bromo-ethyl ester) (5451-78-5)

Guidance literature:

Reference yield:

→ valeric acid-(2-bromo-ethyl ester) (5451-78-5)

Guidance literature:

Valeriansaeure, Ethylenoxid, wsf. HBr, Kationit KU-2, 60-65grad;

upstream raw materials:

pentanoic anhydride

2-bromoethanol

2-butyl-1,3-dioxolane

Downstream raw materials:

Pentanoic acid, decyl ester

Refernces