1185-39-3

Basic information

• Product Name: 2,2-DIMETHYLVALERIC ACID
• Synonyms: TIMTEC-BB SBB007765;RARECHEM AH CK 0091;NEOHEPTANOIC ACID;2,2-dimethyl-pentanoicaci;2,2-Dimethylpentansαure;2,2-dimethyl-valericaci;a,a-dimethylvalericacid;Pentanoic acid, 2,2-dimethyl-
• CAS NO: 1185-39-3
• Molecular Formula: C₇H₁₄O₂
• Molecular Weight: 130.18
• EINECS: 214-682-4
• Mol File: 1185-39-3.mol
• Article Data: 15

Chemical Properties

• Melting Point: -55.77°C (estimate)
• Boiling Point: 200-205°C
• Flash Point: 200-205°C
• Appearance: /
• Density: 0.918 g/mL at 20 °C(lit.)
• Vapor Pressure: 0.0889mmHg at 25°C
• Refractive Index: n20/D 1.422
• Storage Temp.: 2-8°C
• PKA: pK1:4.969 (25°C)
• BRN: 1747703
• CAS DataBase Reference: 2,2-DIMETHYLVALERIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 2,2-DIMETHYLVALERIC ACID(1185-39-3)
• EPA Substance Registry System: 2,2-DIMETHYLVALERIC ACID(1185-39-3)

Safety Data

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45
• RIDADR: UN 3265 8/PG 3
• WGK Germany: 3
• RTECS: YV6487500
• HazardClass: 8
• PackingGroup: II
• Hazardous Substances Data: 1185-39-3(Hazardous Substances Data)

Usage

Description

2,2-Dimethylvaleric acid is a branched-chain-fatty acid and a structural analog of di-n-propylacetate (DPA). It is characterized by its unique chemical structure, which contributes to its specific applications in various fields.

Uses

Used in Pharmaceutical and Analytical Chemistry:
2,2-Dimethylvaleric acid is used as an internal standard for the liquid chromatography-mass spectrometric determination of 2,2-dimethylbutyrate (DMB) in rat plasma. Its role as an internal standard ensures accurate and reliable quantification of DMB, which is crucial for the assessment of its pharmacokinetics and potential therapeutic applications.

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

Upstream product

• 39255-32-8 manzanate 
• 116435-51-9 3-bromoheptane 
• 124-38-9 carbon dioxide 
• 5837-93-4 ethyl ester of 2,2-dimethylpentanoic acid 
• 59007-04-4 2-(4-methoxyphenyl)-1,4-hydroquinone 
• 625-27-4 2-methyl-2-pentene 
• 201230-82-2 carbon monoxide 
• 77-74-7 3-methylpentan-3-ol 
• 75-85-4 tert-Amyl alcohol 
• 64-18-6 formic acid 
• 1185-33-7 2,2-Dimethyl-1-butanol 
• 7664-93-9 sulfuric acid 
• 26118-38-7 3,3-dimethyl-hexan-2-one 
• 78-93-3 butanone 

Downstream Products

• 92196-45-7 2,2-dimethyl-N-phenylpentanamide 
• 156779-04-3 <2H13>heptanoic acid 
• 44970-05-0 2,2-dimethylpentanoic acid ethenyl ester 
• 1208117-17-2 C₁₉H₃₀N₂O₄S 
• 2370-12-9 2,2-dimethylpentanol 
• 15721-22-9 2,2-dimethylvaleroyl chloride 
• 53310-02-4 2-amino-2-methylpentane 

Relevant articles and documents

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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.

Novel application of a solid super acid, sulfated zirconia, as a catalyst for Koch carbonylation reaction

A solid superacid, sulfated zirconia, worked well in the Koch reaction. Under optimized conditions, tertiary alcohols were selectively transformed to the corresponding carboxylic acids (34-72%), while primary alcohols were transformed to the corresponding ethers (58-72%).