5457-89-6

Basic information

• Product Name: 2-bromoethyl octanoate
• Synonyms: 2-bromoethyl octanoate
• CAS NO: 5457-89-6
• Molecular Formula: C₁₀H₁₉BrO₂
• Molecular Weight: 251.16
• Mol File: 5457-89-6.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 280.3°C at 760 mmHg
• Flash Point: 143.5°C
• Appearance: /
• Density: 1.194g/cm³
• Vapor Pressure: 0.00381mmHg at 25°C
• Refractive Index: 1.462
• CAS DataBase Reference: 2-bromoethyl octanoate(CAS DataBase Reference)
• NIST Chemistry Reference: 2-bromoethyl octanoate(5457-89-6)
• EPA Substance Registry System: 2-bromoethyl octanoate(5457-89-6)

Safety Data

• Hazardous Substances Data: 5457-89-6(Hazardous Substances Data)

Usage

InChI:InChI=1/C10H19BrO2/c1-2-3-4-5-6-7-10(12)13-9-8-11/h2-9H2,1H3

Upstream product

• 4359-57-3 2-heptyl-1,3-dioxolane 
• 111-64-8 n-octanoic acid chloride 
• 540-51-2 2-bromoethanol 
• 124-07-2 Octanoic acid 

Downstream Products

• 137422-31-2 4-Decyloxy-benzoic acid 4-(2-octanoyloxy-ethoxy)-phenyl ester 
• 137422-40-3 β-(4-Hydroxyphenoxy)ethyl octanoate 
• 137422-39-0 β-(4-Benzyloxyphenoxy)ethyl octanoate 

Relevant articles and documents

Synthesis and evaluation of novel thymidine analogs as antitumor and antiviral agents

Two series of thymidine analogs with a hydroxyalkylammonium(amine) moiety have been synthesized and evaluated for antitumor and antiviral activities. The hydroxyalkylammonium-(amine) group was introduced at the 5' position of the 2'-deoxyribose residue of thymidine or at a corresponding position in acyclic thymidine analogs. In order to increase the lipophilicity of these compounds and potentially enable them to cross the cell membrane, the free hydroxy group also was esterified with a long hydrocarbon chain. The hexadecanoyl analogs (compounds 1c, 1d, 7c, and 7d) showed moderate antitumor cytotoxicity against SV-28 and KB cell lines (IC50 ~ 20 μM). Compound 1d showed moderate anti-HIV activity (EC50 = 6.8 μM), while compound 5 showed weak anti-HIV activity (EC50 = 55 μM). None of the compounds showed antiherpes simplex virus activity.

Acetals oxidation into esters with electrophilic halogens

A preparative oxidation of dioxolanes groups into esters is described. Among the different electophilic halogens and solvents which have been tested, ICl/H2O in methylene chloride and Br2/H2O in acetonitrile gave the best results.

Synthesis, IR spectra, and antimicrobial activity of some bis-ammonium salts of N,N'-bis(2-dimethylaminoethyl)methylamine

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