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

• 592-41-6 1-hexene 
• 64-18-6 formic acid 
• 1185-33-7 2,2-Dimethyl-1-butanol 
• 26118-38-7 3,3-dimethyl-hexan-2-one 
• 13146-36-6 2,2-dimethyl-valeric acid amide 
• 141812-30-8 5,5-dimethyl-4-octanone 
• 35983-73-4 3,3,5-trimethyl-3H-furan-2-one 
• 201230-82-2 carbon monoxide 
• 71-41-0 pentan-1-ol 
• 691-37-2 4-Methyl-1-pentene 
• 187737-37-7 propene 
• 79-31-2 isobutyric Acid 
• 592-76-7 1-Heptene 
• 590-36-3 2-methylpentan-2-ol 

Downstream Products

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

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.

Process for synthesis of tertiary carboxylic acids and the esters thereof

The present invention provides a process for synthesizing tertiary carboxylic acids or the esters thereof having one or two more carbon atoms than the raw material has, comprising reacting in a strong acid (e.g., sulfuric acid, sulfuric acid-phosphoric acid, hydrogen fluoride, fluorosulfuric acid, boron trifluoride.water complex and trifluoromethanesulfonic acid) a raw material compound (i.e., olefin, alcohol, diene, diol or saturated hydrocarbon) with carbon monoxide in the presence of a specific metal carbonyl catalyst (i.e., platinum carbonyl catalyst, palladium carbonyl catalyst and gold dicarbonyl catalyst). The metal carbonyl catalyst is formed by reacting in a strong acid at least one specific metal compounds (e.g., platinum compound such as platinum (II, IV) oxide, platinum (II, IV) hydroxide, a platinum powder, etc.; palladium compound such as palladium (II, III, IV) oxide, palladium (II) hydroxide, palladium (II) sulfate, palladium (II) carboxylate, a palladium powder, etc.; and gold compound such as gold (I, III) oxide, gold (I, III) hydroxide, a gold powder, etc.) with carbon monoxide.