5669-14-7

Basic information

• Product Name: 2,2-DIMETHYL-3-PHENYLPROPANOIC ACID
• Synonyms: 2,2-DIMETHYL-3-PHENYLPROPANOIC ACID;2-Benzyl-2-methylpropanoic acid;α,α-Dimethylhydrocinnamic acid;a, a-DiMethyl-benzenepropanoic acid;2,2-dimethyl-3-phenyl-propionic acid;alpha,alpha-Dimethylbenzenepropanoic acid;alpha,alpha-Dimethylhydrocinnamic acid;Benzenepropanoic acid, alpha,alpha-dimethyl- (9CI)
• CAS NO: 5669-14-7
• Molecular Formula: C₁₁H₁₄O₂
• Molecular Weight: 178.23
• Mol File: 5669-14-7.mol
• Article Data: 52

Chemical Properties

• Melting Point: 59-60 °C(Solv: ligroine (8032-32-4))
• Boiling Point: 288.3°Cat760mmHg
• Flash Point: 185.4°C
• Appearance: /
• Density: 1.07g/cm³
• Vapor Pressure: 0.0011mmHg at 25°C
• Refractive Index: 1.527
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 4.73±0.11(Predicted)
• CAS DataBase Reference: 2,2-DIMETHYL-3-PHENYLPROPANOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 2,2-DIMETHYL-3-PHENYLPROPANOIC ACID(5669-14-7)
• EPA Substance Registry System: 2,2-DIMETHYL-3-PHENYLPROPANOIC ACID(5669-14-7)

Safety Data

• Hazardous Substances Data: 5669-14-7(Hazardous Substances Data)

Usage

General Description

2,2-DIMETHYL-3-PHENYLPROPANOIC ACID is a chemical compound with the formula C13H16O2. It is a colorless, odorless solid that is used in the synthesis of various pharmaceuticals and organic compounds. It is a derivative of propionic acid, containing a phenyl group and two methyl groups attached to the carbon chain. 2,2-DIMETHYL-3-PHENYLPROPANOIC ACID has been studied for its potential biological and pharmacological properties, and is used in the production of medicines and other chemical products. It is important for its role in organic synthesis and as a building block for the creation of new compounds with potential applications in medicine and industry.

InChI:InChI=1/C11H14O2/c1-11(2,10(12)13)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,12,13)

Upstream product

• 101518-61-0 2,2-dimethyl-3-phenylpropanamide 
• 94800-92-7 ethyl 2,2-dimethyl-3-phenylpropionate 
• 35863-45-7 2,2-dimethyl-3-phenylpropanenitrile 
• 100-44-7 benzyl chloride 
• 79-31-2 isobutyric Acid 
• 1955-45-9 pivalolactone 
• 14248-22-7 methyl 2,2-dimethyl-3-phenylpropionate 
• 100-39-0 benzyl bromide 
• 97-62-1 Ethyl isobutyrate 
• 480453-25-6 ((1-(benzyloxy)-2-methylprop-1-en-1-yl)oxy)trimethylsilane 
• 31469-25-7 1,1-bis(trimethylsiloxy)-2-methylprop-1-ene 
• 7647-01-0 hydrogenchloride 
• 124-38-9 carbon dioxide 
• 1754-74-1 2-chloro-2-methyl-1-phenylpropane 

Downstream Products

• 857771-08-5 2,2-dimethyl-3-(4-nitrophenyl)propanoic acid 
• 62931-24-2 2,2-dimethyl-3-phenylpropanoyl chloride 
• 14248-22-7 methyl 2,2-dimethyl-3-phenylpropionate 
• 10489-28-8 2,2-dimethyl-indan-1-one 
• 72040-69-8 4-nitrophenyl α,α-dimethyl-β-phenylpropionate 
• 100-86-7 2-Methyl-1-phenyl-2-propanol 
• 1754-74-1 2-chloro-2-methyl-1-phenylpropane 
• 41417-90-7 3-cyclohexyl-2,2-dimethylpropanoic acid 
• 443682-78-8 2,2-dimethyl-3-phenylpropionohydroxamic acid 
• 728880-83-9 2,2-dimethyl-3-phenyl-thiopropionic acid S-pent-4-ynyl ester 
• 94800-92-7 ethyl 2,2-dimethyl-3-phenylpropionate 
• 110604-60-9 4-Cyclohexyl-1-hydroxy-3,3-dimethyl-butan-2-one 
• 110604-58-5 4-Cyclohexyl-1-diazo-3,3-dimethyl-butan-2-one 
• 110604-55-2 Benzenesulfonic acid 4-cyclohexyl-3,3-dimethyl-2-oxo-butyl ester 

Relevant articles and documents

Diradicals Photogeneration from Chloroaryl-Substituted Carboxylic Acids

With the aim of generating new, thermally inaccessible diradicals, potentially able to induce a double-strand DNA cleavage, the photochemistry of a set of chloroaryl-substituted carboxylic acids in polar media was investigated. The photoheterolytic cleavage of the Ar?Cl bond occurred in each case to form the corresponding triplet phenyl cations. Under basic conditions, the photorelease of the chloride anion was accompanied by an intramolecular electron-transfer from the carboxylate group to the aromatic radical cationic site to give a diradical species. This latter intermediate could then undergo CO2 loss in a structure-dependent fashion, according to the stability of the resulting diradical, or abstract a hydrogen atom from the medium. In aqueous environment at physiological pH (pH=7.3), both a phenyl cation and a diradical chemistry was observed. The mechanistic scenario and the role of the various intermediates (aryl cations and diradicals) involved in the process was supported by computational analysis.

SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS

The invention provides substituted, saturated and unsaturated N-heterocyclic carboxamides and related compounds, compositions containing such compounds, medical kits, and methods for using such compounds and compositions to treat medical disorders, e.g., cancer, lysosomal storage disorder, neurodegenerative disorder, inflammatory disorder, in a patient.

COMPOUNDS FOR SENSING REACTIVE OXYGEN SPECIES AND METHODS FOR USING THE SAME

Provided herein according to some embodiments of the invention are aryl boronate and/or aryl diaminoboryl compounds. Also provided are methods of detecting the presence of hydrogen peroxide (H2O2) and/or other reactive oxygen species (ROS) in a cell and/or tissue by contacting the cell and/or tissue with aryl boronate and/or aryl diaminoboryl compounds. Also provided according to embodiments of the invention are methods of producing persulfides in the presence of hydrogen peroxide (H2O2) and/or other reactive oxygen species (ROS) in a cell and/or tissue by contacting the cell and/or tissue with aryl boronate and/or aryl diaminoboryl compounds.