6974-85-2

Basic information

• Product Name: ETHYL 2-BROMOHEXANOATE
• Synonyms: 2-BROMOHEXANOIC ACID ETHYL ESTER;ALPHA-BROMOHEXANOIC ACID ETHYL ESTER;ETHYL A-BROMOCAPROATE;ETHYL ALPHA-BROMOCAPROATE;ETHYL 2-BROMOCAPROATE;Ethyl 2-bromodecanoate;2-Bromodecanoic acid ethyl ester;Nsc22004
• CAS NO: 6974-85-2
• Molecular Formula: C₁₂H₂₃BrO₂
• Molecular Weight: 223.11
• EINECS: 210-455-9
• Mol File: 6974-85-2.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 213-215 °C(lit.)
• Flash Point: 204 °F
• Appearance: /
• Density: 1.221 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.006mmHg at 25°C
• Refractive Index: n20/D 1.45(lit.)
• CAS DataBase Reference: ETHYL 2-BROMOHEXANOATE(CAS DataBase Reference)
• NIST Chemistry Reference: ETHYL 2-BROMOHEXANOATE(6974-85-2)
• EPA Substance Registry System: ETHYL 2-BROMOHEXANOATE(6974-85-2)

Safety Data

• Hazard Codes: C
• Statements: 22-34
• Safety Statements: 26-36/37/39
• RIDADR: UN 3265 8/PG 2
• WGK Germany: 3
• Hazardous Substances Data: 6974-85-2(Hazardous Substances Data)

Usage

General Description

Ethyl 2-Bromohexanoate is a chemical compound with the molecular formula C8H15BrO2, often used in organic synthesis as a functional material or intermediate. It typically presents as a colorless or pale yellow liquid and is mostly soluble in organic solvents while insoluble in water. It is recommended that handling and storage of ethyl 2-bromohexanoate are done in a well-ventilated, cool and dry place due to its reactivity especially towards strong oxides. On the safety aspect, it is potentially harmful or fatal if swallowed or enters airways, hence requiring appropriate protective measures during handling. This chemical's potential applications include as a pharmaceutical intermediate or in the synthesis of other chemicals.

InChI:InChI=1/C12H23BrO2/c1-3-5-6-7-8-9-10-11(13)12(14)15-4-2/h11H,3-10H2,1-2H3

Upstream product

• 64-17-5 ethanol 
• 334-48-5 1-decanoic acid 
• 2623-95-2 2-bromodecanoic acid 
• 99217-33-1 α-bromodecanoyl chloride 
• 680859-92-1 2-acetyl-2-bromodecanoic acid ethyl ester 
• 24317-95-1 ethyl 2-octylacetoacetate 

Downstream Products

• 63538-34-1 2-{4-[4-(1-Ethoxycarbonyl-nonyloxy)-phenoxy]-phenoxy}-decanoic acid ethyl ester 
• 51337-97-4 2-[4-(4-Chloro-phenoxy)-phenoxy]-decanoic acid ethyl ester 
• 40843-11-6 4-(4-Chlorphenoxy)-α-phenoxy-caprinsaeure 
• 188699-86-7 2-[2-({3-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]-phenylamino}-methyl)-phenoxy]-decanoic acid ethyl ester 
• 63538-45-4 2-{4-[4-(1-Carboxy-nonyloxy)-phenoxy]-phenoxy}-decanoic acid 
• 1374020-24-2 (RS)-2-[4-octanoylphenoxy]decanoic acid 
• 1374020-25-3 (R)-2-[4-octanoylphenoxy]decanoic acid, sodium salt 
• 1374020-29-7 (R)-2-[4-octanoylphenoxy]decanoic acid 
• 1374020-28-6 (S)-2-[4-octanoylphenoxy]decanoic acid (S)-lactamide ester 
• 1374020-27-5 (R)-2-[4-octanoylphenoxy]decanoic acid (S)-lactamide ester 
• 1374020-02-6 sodium (RS)-2-[4-octanoylphenoxy]decanoate 
• 1374020-23-1 ethyl (RS)-2-[4-octanoylphenoxy]decanoate 
• 58827-04-6 α-[p-(1-cycloheptenyl)-phenoxy]-decanoic acid ethyl ester 
• 38799-02-9 α-[p-(1-cyclohexenyl)-phenoxy]-decanoic acid ethyl ester 

Relevant articles and documents

Synthesis and characterization of novel phosphonocarboxylate inhibitors of RGGT

Phosphonocarboxylate (PC) analogs of the anti-osteoporotic drugs, bisphosphonates, represent the first class of selective inhibitors of Rab geranylgeranyl transferase (RabGGTase, RGGT), an enzyme implicated in several diseases including ovarian, breast and skin cancer. Here we present the synthesis and biological characterization of an extended set of this class of compounds, including lipophilic derivatives of the known RGGT inhibitors. From this new panel of PCs, we have identified an inhibitor of RGGT that is of similar potency as the most active published phosphonocarboxylate, but of higher selectivity towards prenyl pyrophosphate synthases. New insights into structural requirements are also presented, showing that only PC analogs of the most potent 3rd generation bisphosphonates inhibit RGGT. In addition, the first phosphonocarboxylate-derived GGPPS weak inhibitor is reported.

One-pot synthesis of α-bromoesters and ketones from β-ketoesters and diketones using supported reagents system

A simple and efficient method has been developed for the synthesis of α-bromoesters and ketones from β-ketoesters and diketones in one pot using a supported reagents system, CuBr2/Al2O 3-Na2CO3/Al2O3, in which β-ketoester reacts first with CuBr2/Al2O3 and the product, α-bromo-β-ketoester, reacts with Na 2CO3/Al2O3 to give the final product, α-bromoesters in good yields.