2177-78-8

Basic information

• Product Name: METHYL 3-METHYLPENTANOATE
• Synonyms: 3-Methylvaleric acid, methyl ester;Methyl beta-methylvalerate;Pentanoic acid, 3-methyl-, methyl ester;Valeric acid, 3-methyl-, methyl ester;METHYL 3-METHYLVALERATE;METHYL 3-METHYLPENTANOATE;Methyl (3R)-3-methylpentanoate;3-Methylpentanoic acid methyl ester
• CAS NO: 2177-78-8
• Molecular Formula: C7H14O2
• Molecular Weight: 130.18
• Mol File: 2177-78-8.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 135.1°C at 760 mmHg
• Flash Point: 41 °C
• Appearance: /
• Density: 0.88 g/mL at 20 °C(lit.)
• Vapor Pressure: 7.85mmHg at 25°C
• Refractive Index: n20/D 1.405
• BRN: 1744678
• CAS DataBase Reference: METHYL 3-METHYLPENTANOATE(CAS DataBase Reference)
• NIST Chemistry Reference: METHYL 3-METHYLPENTANOATE(2177-78-8)
• EPA Substance Registry System: METHYL 3-METHYLPENTANOATE(2177-78-8)

Safety Data

• Statements: 10
• Safety Statements: 23-24/25
• RIDADR: UN 3272 3/PG 3
• WGK Germany: 3
• HazardClass: 3.2
• PackingGroup: III
• Hazardous Substances Data: 2177-78-8(Hazardous Substances Data)

Usage

InChI:InChI=1/C7H14O2/c1-4-6(2)5-7(8)9-3/h6H,4-5H2,1-3H3

Upstream product

• 186581-53-3 diazomethane 
• 5256-74-6 1,3-diethyl 2-diazopropanedioate 
• 106-97-8 n-butane 
• 623-43-8 crotonic acid methyl ester 
• 925-90-6 ethylmagnesium bromide 
• 390410-67-0 methyl 4-fluoro-3-methyl-2-pentenoate 
• 105-43-1 3-methylvaleric acid 
• 15790-87-1 Methyl (E)-2-pentenoate 
• 75-16-1 methylmagnesium bromide 
• 67-56-1 methanol 
• 51116-72-4 3-methylpentanoyl chloride 
• 589-35-5 3-methyl-1-pentanol 

Downstream Products

• 41654-19-7 methyl 2-hydroxy-3-methylpentanoate 
• 589-35-5 3-methyl-1-pentanol 
• 15877-57-3 3-methylpentanal 

Relevant articles and documents

REGIOSPECIFIC ADDITION OF ORGANOCOPPER REAGENTS TO α,β-UNSATURATED ESTERS

Mixed cuprates ArSCu(RMgX)n add rapidly to crotonates and cinnamates to give high yields of Michael adducts.Cuprates of methyl, ethyl, isopropyl, t-butyl, phenyl and vinyl were used.Crotonates give much higher yields of adducts with cuprates using 2-methoxythiophenoxide as a ligand than with those using thiophenoxide.

Primary alkanols: oxidative homocondensation in water and cross-condensation in methanol

Water was used as a reaction medium and a reagent in oxidation of primary alkanols to dimeric esters and alkanoic acids using either molecular bromine or a hydrogen peroxide—hydrobromic acid mixture as the oxidants. The similar reaction in methanol produced methyl alkanoates.

Highly efficient copper(I) iodide-tolyl-BINAP-catalyzed asymmetric conjugate addition of methylmagnesium bromide to α,β-unsaturated esters

A highly efficient asymmetric conjugate addition of methylmagnesium bromide (MeMgBr) to α,β-unsaturated esters catalyzed by copper(I) iodide-tolyl-BNIP (CuI-Tol-BINAP) is described.

Complete structures of the sphingosine analog mycotoxins fumonisin B1 and AAL toxin T(A): Absolute configuration of the side chains

Fumonisin B1 and AAL toxin T(A) are sphingosine-analog mycotoxins characterized by propane-1,2,3-tricarboxylic acid side chains esterified to alkylamine backbones. The absolute configuration of all stereogenic centers in the backbones is known. Using chiral gas chromatography methodology we have determined the absolute configuration at C-3' in the side chains to the S, thereby completing structure determination of both toxins.