79520-52-8

Basic information

• Product Name: Pentanoic acid, 5-broMo-2,2-diMethyl-, Methyl ester
• Synonyms: Pentanoic acid, 5-broMo-2,2-diMethyl-, Methyl ester;5-Bromo-2,2-dimethylpentanoic acid methyl ester;Methyl 5-bromo-2,2-dimethylvalerate
• CAS NO: 79520-52-8
• Molecular Formula: C₈H₁₅BrO₂
• Molecular Weight: 223.1075
• Mol File: 79520-52-8.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 217.3±23.0 °C(Predicted)
• Appearance: /
• Density: 1.258±0.06 g/cm3(Predicted)
• CAS DataBase Reference: Pentanoic acid, 5-broMo-2,2-diMethyl-, Methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Pentanoic acid, 5-broMo-2,2-diMethyl-, Methyl ester(79520-52-8)
• EPA Substance Registry System: Pentanoic acid, 5-broMo-2,2-diMethyl-, Methyl ester(79520-52-8)

Safety Data

• Hazardous Substances Data: 79520-52-8(Hazardous Substances Data)

Usage

General Description

Pentanoic acid, 5-bromo-2,2-dimethyl-, methyl ester is a chemical compound with the formula C8H15BrO2. It is commonly used in organic synthesis and as a reagent in chemical reactions. Pentanoic acid, 5-bromo-2,2-dimethyl-, methyl ester is a colorless liquid with a characteristic odor and is flammable. It is primarily used as a building block in the production of various chemical compounds and can also be used in fragrance and flavor formulations. This chemical is commonly found in research and industrial settings and must be handled and stored with caution due to its flammability and potential hazards.

Upstream product

• 547-63-7 Methyl isobutyrate 
• 109-64-8 1,3-dibromo-propane 
• 16386-93-9 2,2-dimethylpent-4-enoic acid 
• 67-56-1 methanol 
• 82884-95-5 2,2-dimethyl-5-bromopentanoic acid 

Downstream Products

• 85629-99-8 5-[2-Bromo-5-(4-methoxycarbonyl-4-methyl-pentyloxy)-phenoxy]-2,2-dimethyl-pentanoic acid methyl ester 
• 85630-08-6 5-[5-(4-Methoxycarbonyl-4-methyl-pentyloxy)-biphenyl-3-yloxy]-2,2-dimethyl-pentanoic acid methyl ester 
• 85630-12-2 5-[2-Methoxy-6-(4-methoxycarbonyl-4-methyl-pentyloxy)-phenoxy]-2,2-dimethyl-pentanoic acid methyl ester 
• 79520-76-6 5-[5-(4-Methoxycarbonyl-4-methyl-pentyloxy)-biphenyl-2-yloxy]-2,2-dimethyl-pentanoic acid methyl ester 
• 79520-69-7 5-[4-(4-Methoxycarbonyl-4-methyl-pentyloxy)-2,5-dimethyl-phenoxy]-2,2-dimethyl-pentanoic acid methyl ester 
• 79520-56-2 5-[3-(4-Methoxycarbonyl-4-methyl-pentyloxy)-2-methyl-phenoxy]-2,2-dimethyl-pentanoic acid methyl ester 
• 85629-91-0 5-{4-[4-(4-Methoxycarbonyl-4-methyl-pentylsulfanyl)-phenoxy]-phenylsulfanyl}-2,2-dimethyl-pentanoic acid methyl ester 
• 147686-54-2 5-(2,5-dimethyl-4-nitrophenoxy)-2,2-dimethylpentanoic acid, methyl ester 
• 114413-98-8 gemfibrozil sodium salt 
• 115676-08-9 Methyl 2,2-dimethyl-5-[4-(octahydro-1,3-dioxo-2H-isoindol-2-yl)phenoxy]pentanoate 
• 79520-77-7 5,5'-[(1,1'-biphenyl)-2,5-diylbis(oxy)]bis[2,2-dimethylvaleric] acid 
• 126803-05-2 5-[4-[[5-(2,5-dimethylphenoxy)-2,2-dimethyl-1oxopentyl]amino]phenoxy]-2,2-dimethylpentanoic acid, methyl ester 
• 115519-51-2 5-(4-butylphenoxy)-2,2-dimethylpentanoic acid methyl ester 
• 85629-90-9 5-(4-{1-[4-(4-Methoxycarbonyl-4-methyl-pentyloxy)-phenyl]-1-methyl-ethyl}-phenoxy)-2,2-dimethyl-pentanoic acid methyl ester 

Relevant articles and documents

Erratum: Efficient Targeted Degradation via Reversible and Irreversible Covalent PROTACs (Journal American Chemical Society (2020) DOI: 10.1021/jacs.9b13907)

This addition corrects several errors in the chemical drawings in the article. The correction has no influence on the data or conclusions of the work. The configuration of the chiral carbon in Figure 1 in the main text was originally drawn as S. The corrected figure shown here depicts the R enantiomer used in this work. (Figure presented) In the Supporting Information PDF files, the configuration of the chiral carbon of the BTK binder in supplementary Table 1 (page S9), supplementary Figure 4 (page S13), and several of the synthetic schemes (pages S17-S42) was originally drawn and marked as S by error. The corrected supplementary file depicts the R enantiomer, which was the sole enantiomer used in the work. The linker in the right panel of supplementary Table 1 (page S9) was missing two carbons in the drawing, and the linker size written for compound PG15 (RC-0b) in the table was incorrect. The corrected supplementary file contains the correct drawings and linker sizes.

Ketamine esters and amides as short-acting anaesthetics: Structure-activity relationships for the side-chain

N-Aliphatic ester analogues of the non-opioid ketamine (1) retain effective anaesthetic/analgesic properties while minimising ketamine's psychomimetic side-effects. We show that the anaesthetic/analgesic properties of these ester analogues depend critically on the length (from 2 to 4 carbons), polarity and steric cross-section of the aliphatic linker chain. More stable amide and ethylsulfone analogues generally showed weaker anaesthetic/analgesic activity. There was no correlation between the anaesthetic/analgesic properties of the compounds and their binding affinities for the N-methyl-D-aspartate (NMDA) receptor.

7-oxabicycloheptyl substituted heterocyclic amide or ester prostaglandin analogs useful in the treatment of thrombotic and vasospastic disease

7-Oxabicycloheptane substituted prostaglandin analogs useful in treating thrombotic and vasopastic disease have the structural formula STR1 wherein m is 1, 2 or 3; n is 1, 2, 3 or 4; Z is --(CH2)2 --, --CH=CH-- or STR2 wherein Y is O, a single bond or vinyl, with the proviso that when n is 0, if Z is STR3 then Y cannot be O, and Z is --CH=CH--, n is 1, 2, 3 or 4; and when Y=vinyl, n=0; R is CO2 H, CO2 lower alkyl, CH2 OH, CO2 alkali metal, CONHSOR3, CONHR3a or --CH2 --5-tetrazolyl, X is O, S or NH; and where R1, R2, R3 and R3a are as defined herein.