5445-22-7

Basic information

• Product Name: METHYL 2-BROMOOCTANOATE
• Synonyms: METHYL 2-BROMOOCTANOATE;2-bromo-octanoicacimethylester;2-Bromooctanoic acid methyl ester;Methyl2-bromooctanoate,99+%;Methyl 2-bromocaprylate;NSC 21981;Octanoic acid, 2-broMo-, Methyl ester;Methyl 2-BroMooCLanoate
• CAS NO: 5445-22-7
• Molecular Formula: C₉H₁₇BrO₂
• Molecular Weight: 237.13
• EINECS: 226-644-4
• Mol File: 5445-22-7.mol
• Article Data: 9

Chemical Properties

• Boiling Point: 228℃
• Flash Point: 102℃
• Appearance: /
• Density: 1.221
• Vapor Pressure: 0.0763mmHg at 25°C
• Refractive Index: 1.46
• CAS DataBase Reference: METHYL 2-BROMOOCTANOATE(CAS DataBase Reference)
• NIST Chemistry Reference: METHYL 2-BROMOOCTANOATE(5445-22-7)
• EPA Substance Registry System: METHYL 2-BROMOOCTANOATE(5445-22-7)

Safety Data

• Statements: R36/38:Irritating to eyes and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36:Wear suitable prot
• Hazardous Substances Data: 5445-22-7(Hazardous Substances Data)

Usage

General Description

Methyl 2-bromooctanoate is a chemical compound with the molecular formula C9H17BrO2. It is an ester, specifically an octanoic acid ester with a bromine atom substituted at the 2-position. METHYL 2-BROMOOCTANOATE is commonly used in organic synthesis as a reagent for the preparation of various organic compounds. It is also used as a flavoring agent in the food industry, imparting a fruity and sweet odor to products. Methyl 2-bromooctanoate is typically prepared through the reaction of octanoic acid with methyl alcohol and hydrobromic acid. It is a colorless to pale yellow liquid with a characteristic fruity odor. As with any chemical compound, proper precautions should be taken when handling and storing methyl 2-bromooctanoate to ensure safety.

InChI:InChI=1/C9H17BrO2/c1-3-4-5-6-7-8(10)9(11)12-2/h8H,3-7H2,1-2H3

Upstream product

• 67-56-1 methanol 
• 83818-62-6 1-chloro-1-(phenylthio)-1-octene 
• 73634-76-1 2-hydroxyoctanoic acid methyl ester 
• 644-90-6 2-aminooctanoic acid 
• 124-13-0 Octanal 
• 2984-50-1 1,2-Epoxyoctane 
• 78389-69-2 (2-Bromo-octyloxy)-trimethyl-silane 
• 145090-38-6 Acetic acid 1-methylsulfanylcarbonyl-heptyl ester 
• 39267-30-6 1-methanesulfinyl-octan-2-one 
• 617-73-2 2-hydroxy-octanoic acid 
• 106-73-0 methyl heptanoate 
• 2623-82-7 2-bromooctanoic acid 
• 42768-44-5 2-Bromooctanoyl chloride 
• 111-64-8 n-octanoic acid chloride 

Downstream Products

• 35234-16-3 (E)-methyl oct-3-enoate 
• 7367-81-9 methyl (E)-oct-2-enoate 
• 160549-09-7 3-hexyl-3,4,5,6-tetrahydro-4β-hydroxy-6-undecyl-2H-pyran-2-one 
• 104801-82-3 methyl 2-hexyl-5-hydroxy-3-oxo-hexadecanoate 

Relevant articles and documents

KINASE INHIBITOR

The present invention aims to provide a novel kinase inhibitor and the like, and a therapeutic agent for a disease, a drug discovery screening method and the like utilizing such inhibitor and the like. The compound represented by the following formula (I) and a salt thereof can inhibit plural kinases including LATS (particularly LATS2) which is the major kinase in the Hippo signal transduction pathway. In addition, diseases or tissue damage associated with failure of cellular proliferation can be treated. Therefore, the present invention is beneficial, for example, in the research field of cell functions and diseases, in which the Hippo signal transduction pathway is involved, and the like. Furthermore, it is beneficial in the medical field for the treatment of such diseases and the like. wherein each symbol is as defined in the DESCRIPTION.

One-pot oxidative bromination – Esterification of aldehydes to 2-bromoesters using cerium (IV) ammonium nitrate and lithium bromide

A two-step, one-pot reaction of aldehydes with the CAN/LiBr oxidation system under solvent-free conditions followed by the addition of methanol affords methyl α-bromocarboxylates. The oxidation of aldehydes with methanol using this system gives only methyl esters. A facile method, which does not require special equipment, was developed for the synthesis of 2-bromoesters from aliphatic aldehydes with carbon chain lengths of 5–10 atoms.

Enzymatic lactonization stategy for enantioselective synthesis of a tetrahydrolipstatin synthon

A novel lipase-catalyzed protocol has been formulated for the simultaneous enantiocontrol of three stereogenic centers in a flexible acyclic system. This involved a porcine pancreatic lipase (PPL)-catalyzed δ- lactonization of a racemic 3,5-dihydroxy-2-alkyl ester to produce the lactone with high enantioselectivity (92.8%). The product lactone and its analogues are useful synthons for the asymmetric synthesis of various bioactive compounds, which include the potential anti-obesity compound, tetrahydrolipstatin.