3780-58-3

Basic information

• Product Name: 3-METHYLHEXANOIC ACID
• Synonyms: 3-METHYLHEXANOIC ACID;3-methylcaproicacid;3-methyl-hexanoicaci;3-methylhexylicacid;Hexanoic acid, 3-methyl-
• CAS NO: 3780-58-3
• Molecular Formula: C₇H₁₄O₂
• Molecular Weight: 130.18
• Mol File: 3780-58-3.mol

Chemical Properties

• Melting Point: -55.77°C (estimate)
• Boiling Point: 210.1°C (estimate)
• Flash Point: 102.8°C
• Appearance: /
• Density: 0.9187
• Vapor Pressure: 0.0576mmHg at 25°C
• Refractive Index: 1.4222
• CAS DataBase Reference: 3-METHYLHEXANOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 3-METHYLHEXANOIC ACID(3780-58-3)
• EPA Substance Registry System: 3-METHYLHEXANOIC ACID(3780-58-3)

Safety Data

• Hazardous Substances Data: 3780-58-3(Hazardous Substances Data)

Usage

Uses

3-Methylhexylic Acid, is a building block used in various chemical synthesis.

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

Upstream product

• 26184-62-3 (S)-2-pentanol 
• 96864-25-4 (R)-3-Methyl-hexanoic acid (1S,2R,4R)-1-[(dicyclohexylsulfamoyl)-methyl]-7,7-dimethyl-bicyclo[2.2.1]hept-2-yl ester 
• 116435-51-9 3-bromoheptane 
• 124-38-9 carbon dioxide 
• 58888-76-9 3-hydroxy-3-methyl-hexanoic acid 

Downstream Products

• 41693-47-4 2-methylhexanoyl chloride 
• 92195-86-3 (+)-2-Isopropyl-buttersaeure-anilid 
• 86423-92-9 (3R)-3-Methylhexan-1-ol 
• 13231-81-7 (3S)-3-Methylhexan-1-ol 
• 65530-93-0 (-)(S)-1-amino-3-methyl-hexane 
• 53783-89-4 (+)(S)-3-methyl-caproic acid nitrile 
• 101257-63-0 (+)(S)-1-chloro-3-methyl-hexane 

Relevant articles and documents

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.

Method for the Production of Optically Active 3-Alkyl Carboxylic Acids and the Intermediate Products Thereof

An enantioselective method for producing optically active 3-alkyl carboxylic acids comprises transforming an optically active secondary alcohol into an optically active, activated compound by introducing a leaving group; reacting the activated compound with a malonic acid derivative to obtain an optically active, alkylated malonic acid compound, the reaction taking place exclusively in ether and/or carboxylic acid ester solvents and one or more aprotic polar solvents or alcohols as a cosolvent in a maximum proportion of 30 volume percent of total solvent, wherein the added cosolvent is not hexamethyl phosphoric acid triamide; the malonic acid compound is hydrolyzed if necessary to obtain the corresponding acid; and the corresponding acid is decarboxylated.

Camphorsulfonamide-Shielded, Asymmetric 1,4-Additions and Enolate Alkylations; Synthesis of a Southern Corn Rootworm Pheromone

Using readily accessible 10-sulfonamido-isoborneols as regenerable, chiral auxiliaries, highly face-selective C-C-bond formations at Cα and Cβ of carboxylates could be conveniently achieved.Thus, conjugated additions of RCu to enoates (1->2) furnished, after saponification, β-substituted carboxylic acids 3 in 94-98 percent e.e.Similarly, propionates 12 yielded after deprotonation, enolate alkylation, and reductive ester cleveage the (R)-alcohols 15 in 78-98 percent e.e.The acid (+)-3e was converted to the pheromone (-)-11.

Research in dipropylacetic series. XII. Aliphatic ramified acids and alcohols with anticonvulsant activity

Previous results obtained about 2 propyl pentanoic acid (dipropylacetic or DPA) have been extended to other dialkylalkanoic acids having less than 14 carbon atoms and to some of their precursors (alcohols) or derivatives (amides). The effect of lengthening the chain bonding between the carbon bearing the two alkyl chains and the functional carbon on about 50 molecules is discussed. The anticonvulsant activity's length and strength often increases when lengthening that chain.