4134-20-7

Basic information

• Product Name: (2E)-2-(phenylmethylidene)hexanoic acid
• CAS NO: 4134-20-7
• Molecular Formula: C₁₃H₁₆O₂
• Molecular Weight: 204.2649
• Mol File: 4134-20-7.mol
• Article Data: 11

Chemical Properties

• Boiling Point: 332°C at 760 mmHg
• Flash Point: 235.5°C
• Density: 1.07g/cm³
• Vapor Pressure: 6E-05mmHg at 25°C
• Refractive Index: 1.564
• CAS DataBase Reference: (2E)-2-(phenylmethylidene)hexanoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: (2E)-2-(phenylmethylidene)hexanoic acid(4134-20-7)
• EPA Substance Registry System: (2E)-2-(phenylmethylidene)hexanoic acid(4134-20-7)

Safety Data

• Hazardous Substances Data: 4134-20-7(Hazardous Substances Data)

Usage

General Description

"(2E)-2-(phenylmethylidene)hexanoic acid" is a chemical compound with a molecular formula C13H16O2. Also known as 2-(benzylidene)caproic acid, it is a carboxylic acid and a member of the class of caproic acids. It appears as a white to off-white crystalline powder and is sparingly soluble in water, indicating a potential for bioaccumulation. The compound is commonly used in the synthesis of pharmaceuticals and other organic compounds due to its versatile reactivity, and it may also have applications in the field of fragrance ingredients and flavors. As a result of its potential bioaccumulation and environmental persistence, the compound should be handled and disposed of with care to minimize its impact on the environment.

Upstream product

• 616-05-7 2-bromohexanoic acid 
• 100-52-7 benzaldehyde 
• 122-56-5 tributyl borane 
• 124-38-9 carbon dioxide 
• 536-74-3 phenylacetylene 
• 201230-82-2 carbon monoxide 
• 1129-65-3 (hex-1-yn-1-yl)benzene 
• 625-81-0 diisopropyl zinc 
• 557-20-0 diethylzinc 
• 110-43-0 n-pentyl methyl ketone 
• 3525-31-3 n-pentyl lithium 
• 204571-41-5 ethyl α,α-dibromocaproate 
• 109-72-8 n-butyllithium 
• 637-44-5 phenylpropyolic acid 

Relevant articles and documents

Access to α,β-unsaturated carboxylic acids through water-soluble palladium catalyzed hydroxycarbonylation of alkynes using water as the solvent

A sulfoxantphos modified palladium-catalyzed synthesis of α,β-unsaturated carboxylic acids from alkynes with CO and H2O was described. The atom-economic hydroxycarbonylation of various symmetrical and unsymmetrical alkynes can be achieved with chemo-, stereo-, and regioselectivity, affording the corresponding carboxylic acids in good to excellent yields. Using water as the reaction solvent, the water-soluble palladium catalyst was easily separated from the product and could be reused for 5 cycles.

Copper-Catalyzed Stereodefined Construction of Acrylic Acid Derivatives from Terminal Alkynes via CO2 Insertion

IPrCuCl catalyzes the CO2 insertion reaction undergone by a dialkylvinylborane intermediate derived from alkynyltrialkylborate by a 1,2-alkyl group migration to afford α-alkyl acrylic acids with excellent regio- and stereoselectivities.

Copper-catalyzed hydrocarboxylation of alkynes using carbon dioxide and hydrosilanes

Getting a fix: The copper-catalyzed hydrocarboxylation of alkynes using carbon dioxide in the presence of a hydrosilane, which serves as a reducing agent, has been developed (see scheme). Copper fluorides bearing N-heterocyclic carbene ligands such as IMes and Cl2IPr show high catalytic activities.