1118-47-4

Basic information

• Product Name: 4,4-DIMETHYLPENTANOIC ACID
• Synonyms: 4,4-DIMETHYLPENTANOIC ACID;4,4-Dimethylvaleric acid;4,4-dimethylpentanoic acid(SALTDATA: FREE);Pentanoic acid, 4,4-dimethyl-
• CAS NO: 1118-47-4
• Molecular Formula: C₇H₁₄O₂
• Molecular Weight: 130.18
• Mol File: 1118-47-4.mol
• Article Data: 21

Chemical Properties

• Melting Point: 81.5-82 °C
• Boiling Point: 210.1°C (estimate)
• Flash Point: 92 °C
• Appearance: /
• Density: 0.9221 (rough estimate)
• Vapor Pressure: 0.0889mmHg at 25°C
• Refractive Index: 1.4078 (estimate)
• PKA: pK1:4.79 (18°C)
• CAS DataBase Reference: 4,4-DIMETHYLPENTANOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 4,4-DIMETHYLPENTANOIC ACID(1118-47-4)
• EPA Substance Registry System: 4,4-DIMETHYLPENTANOIC ACID(1118-47-4)

Safety Data

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26
• HazardClass: IRRITANT
• Hazardous Substances Data: 1118-47-4(Hazardous Substances Data)

Usage

Synthesis Reference(s)

Tetrahedron Letters, 21, p. 2181, 1980 DOI: 10.1016/S0040-4039(00)78992-1

InChI:InChI=1/C7H14O2/c1-7(2,3)5-4-6(8)9/h4-5H2,1-3H3,(H,8,9)

Upstream product

• 2855-08-5 1-chloro-3,3-dimethylbutane 
• 57-57-8 β-Propiolactone 
• 124-38-9 carbon dioxide 
• 3121-79-7 4,4-dimethyl-1-pentanol 
• 7065-46-5 3,3-dimethylbutanoic acid chloride 
• 16812-85-4 4,4-dimethyl-pent-2-enoic acid methyl ester 
• 590-50-1 4,4-dimethyl-pentan-2-one 
• 624-95-3 3,3-dimethylbutanol 
• 314765-33-8 (E)-2-(1H-1,2,3-benzotriazol-1-yl)-1-neopentylethenyl trifluoromethanesulfonate 
• 361379-22-8 (Z)-1-(1H-1,2,3-benzotriazol-1-yl)-4,4-dimethyl-1-penten-2-yl trifluoromethanesulfonate 
• 314765-22-5 1-(1H-1,2,3-benzotriazol-1-yl)-4,4-dimethyl-2-pentanone 
• 314765-42-9 1-(4,4-dimethyl-1-pentynyl)-1H-1,2,3-benzotriazole 
• 314765-56-5 1-(1H-1,2,3-benzotriazol-1-yl)-4,4-dimethyl-1-penten-1-yl 4-methylbenzenesulfonate 
• 18187-17-2 2-trimethylsilanyl-acrylic acid 

Downstream Products

• 6570-95-2 1-bromo-4,4-dimethylpentane 
• 268733-94-4 5-[4-(4,4-dimethyl-pentyloxy)-phenyl]-pent-4-ynoic acid methyl ester 
• 268733-95-5 5-[4-(2-isopropyl-4,4-dimethyl-pentyloxy)-phenyl]-pent-4-ynoic acid methyl ester 
• 153187-02-1 4,4-dimethylpentanoyl m-chlorobenzoyl peroxide 
• 1404378-97-7 4,4-dimethyl-1-piperidine-1-ylpentan-1-one 
• 1404378-39-7 5-(2-chloro-4-methylphenylcarbamoyl)-4-{4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]isoxazol-3-yl}valeric acid 
• 1404378-09-1 5-(4-chloro-2-methylphenylcarbamoyl)-4-{4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]isoxazol-3-yl}valeric acid 

Relevant articles and documents

PROCESS FOR THE DIRECT CONVERSION OF ALKENES TO CARBOXYLIC ACIDS

Process for the direct conversion of alkenes to carboxylic acids.

CATALYTIC CARBOXYLATION OF ACTIVATED ALKANES AND/OR OLEFINS

The present invention relates to a method of reacting starting materials with an activating group, namely alkanes carrying a leaving group and/or olefins, with carbon dioxide under transition metal catalysis to give carboxyl group-containing products. It is a special feature of the method of the present invention that the carboxylation predominantly takes place at a preferred position of the molecule irrespective of the position of the activating group. The carboxylation position is either an aliphatic terminus of the molecule or it is a carbon atom adjacent to a carbon carrying an electron withdrawing group. The course of the reaction can be controlled by appropriately choosing the reaction conditions to yield the desired regioisomer.

TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF

A compound represented by Formula [I]: or pharmaceutically acceptable salt thereof, wherein each symbol is as defined in the description.