6945-35-3

Basic information

• Product Name: (E)-4,4-DIMETHYL-2-PENTENOIC ACID
• Synonyms: (E)-4,4-DIMETHYL-2-PENTENOIC ACID;4,4-dimethylpent-2-enoic acid;2-Pentenoic acid, 4,4-dimethyl-;4,4-dimethyl-2-pentenoic acid
• CAS NO: 6945-35-3
• Molecular Formula: C₇H₁₂O₂
• Molecular Weight: 128.16898
• Mol File: 6945-35-3.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 210.5°C at 760 mmHg
• Flash Point: 116.9°C
• Appearance: /
• Density: 0.968g/cm³
• Vapor Pressure: 0.076mmHg at 25°C
• Refractive Index: 1.457
• CAS DataBase Reference: (E)-4,4-DIMETHYL-2-PENTENOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: (E)-4,4-DIMETHYL-2-PENTENOIC ACID(6945-35-3)
• EPA Substance Registry System: (E)-4,4-DIMETHYL-2-PENTENOIC ACID(6945-35-3)

Safety Data

• Hazard Codes: Xi
• HazardClass: IRRITANT
• Hazardous Substances Data: 6945-35-3(Hazardous Substances Data)

Usage

Uses

trans-4,4-Dimethylpent-2-enoic Acid can be used in the treatment of hepatitis B.

InChI:InChI=1/C7H12O2/c1-7(2,3)5-4-6(8)9/h4-5H,1-3H3,(H,8,9)/b5-4+

Upstream product

• 64-18-6 formic acid 
• 917-92-0 3,3-Dimethylbut-1-yne 
• 867-13-0 diethoxyphosphoryl-acetic acid ethyl ester 
• 630-19-3 pivalaldehyde 
• 105-53-3 diethyl malonate 
• 141-82-2 malonic acid 
• 17085-89-1 diethyl 2-(2,2-dimethylpropylidene)malonate 
• 16812-85-4 4,4-dimethyl-pent-2-enoic acid methyl ester 
• 124-38-9 carbon dioxide 
• 1034330-30-7 5,5-dimethyl-2-(2-t-butylethen-1-yl)-1,3,2-dioxaborinane 

Downstream Products

• 1118-47-4 4,4-dimethylpentanoic acid 
• 75-98-9 Trimethylacetic acid 
• 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

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.

AMIDE COMPOUND AND MEDICINAL USE THEREOF

A compound of formula [I-W]: wherein each symbol is as defined in the description, or a pharmaceutically acceptable salt thereof.

Intramolecular homolytic substitution of sulfinates and sulfinamides

A general and efficient method for the synthesis of cyclic sulfi-nates and sulfinamides based on intra-molecular homolytic substitution (SHi) at the sulfur atom by aryl or alkyl radi-cals is described. Both alkyl and benzo-fused compounds can be accessed di-rectly from easily prepared acyclic pre-cursors. Enantiomerically enriched sulfur-based heterocycles were formed through an SHi process with inversion of configuration at the sulfur atom. Cyclization of prochiral radicals proceeded with varying stereochemical outcomes, depending on the size of the incoming radical. 2-Pyridyl and 2-qui-nolyl radicals led to biaryl compounds, which result from attack onto the ortho position of the arylsulfinate rather than a thiophilic substitution.