75177-71-8

Basic information

• Product Name: 3,4,4-TRIMETHYLPENTANOIC ACID
• Synonyms: 3,4,4-TRIMETHYLPENTANOIC ACID
• CAS NO: 75177-71-8
• Molecular Formula: C₈H₁₆O₂
• Molecular Weight: 144.21
• Mol File: 75177-71-8.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 223.8°C at 760 mmHg
• Flash Point: 99.4°C
• Appearance: /
• Density: 0.926g/cm³
• Vapor Pressure: 0.0348mmHg at 25°C
• Refractive Index: 1.434
• CAS DataBase Reference: 3,4,4-TRIMETHYLPENTANOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 3,4,4-TRIMETHYLPENTANOIC ACID(75177-71-8)
• EPA Substance Registry System: 3,4,4-TRIMETHYLPENTANOIC ACID(75177-71-8)

Safety Data

• Hazardous Substances Data: 75177-71-8(Hazardous Substances Data)

Usage

InChI:InChI=1/C8H16O2/c1-6(5-7(9)10)8(2,3)4/h6H,5H2,1-4H3,(H,9,10)

Upstream product

• 107-93-7 (E)-but-2-enoic acid 
• 594-19-4 tert.-butyl lithium 

Downstream Products

• 7499-10-7 3,4,4-trimethylpentanamide 
• 154242-97-4 (R)-3,4,4-Trimethyl-pentanoic acid ((R)-2-hydroxy-1-phenyl-ethyl)-amide 
• 157919-31-8 benzyl 3,4,4-trimethyl-pentanoate 

Relevant articles and documents

Conjugate addition of organolithium reagents to α,β-unsaturated carbocyclic acids

Conjugate addition of primary, secondary, tertiary alkyi and phenyl lithium reagents to 2-alkenoic acids affords good yields of branched saturated carboxylic acids. Methyl groups at the α- and β-carbon of the 2-alkenoic acid decrease reactivity as acceptors, and foster deprotonation, respectively. The lithium enediolate resulting from the conjugate addition can react with electrophiles. PM3 calculations are in agreement with the substituent effects.