6343-61-9

Basic information

• Product Name: 3-hydroxy-3-methyl-2-phenylbutanoic acid
• CAS NO: 6343-61-9
• Molecular Formula: C₁₁H₁₄O₃
• Molecular Weight: 194.2271
• Mol File: 6343-61-9.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 330.7°C at 760 mmHg
• Flash Point: 168°C
• Density: 1.179g/cm³
• Vapor Pressure: 6.52E-05mmHg at 25°C
• Refractive Index: 1.553
• CAS DataBase Reference: 3-hydroxy-3-methyl-2-phenylbutanoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 3-hydroxy-3-methyl-2-phenylbutanoic acid(6343-61-9)
• EPA Substance Registry System: 3-hydroxy-3-methyl-2-phenylbutanoic acid(6343-61-9)

Safety Data

• Hazardous Substances Data: 6343-61-9(Hazardous Substances Data)

Upstream product

• 103-82-2 phenylacetic acid 
• 114-70-5 sodium phenylacetate 
• 67-64-1 acetone 
• 95777-19-8 phenylacetic acid magnesium enediolate 

Downstream Products

• 107627-83-8 (+/-)-3-hydroxy-3-methyl-2-phenyl-butyric acid-(2-diethylamino-ethyl ester) 
• 4412-08-2 3-methyl-2-phenylbut-2-enoic acid 
• 91193-02-1 3-methyl-2-phenyl-crotonoyl chloride 
• 64859-24-1 N-Phenyl-3-methyl-2-phenyl-2-butenamid 
• 121368-72-7 threo-2-Ethyl-3-hydroxy-2-methyl-3-phenylpropionic Acid 
• 121368-72-7 erythro-2-Ethyl-3-hydroxy-2-methyl-3-phenylpropionic Acid 
• 23985-59-3 3-hydroxy-2,2-dimethyl-3-phenylpropanoic acid 
• 768-49-0 (2-methyl-1-propenyl)-benzene 
• 121368-72-7 threo-2-Ethyl-3-hydroxy-2-methyl-3-phenylpropanoic acid 
• 121368-72-7 Erythro 2-Ethyl-3-hydroxy-2-methyl-3-phenylpropanoic acid 
• 7302-03-6 (E)-2-methyl-1-phenyl-1-butene 
• 13384-54-8 (Z)-(2-methylbut-1-en-1-yl)benzene 
• 100-52-7 benzaldehyde 
• 135366-65-3 methyl β-hydroxy-α-phenylvalerate 

Relevant articles and documents

Stereospecific Electrophilic Fluorocyclization of α,β-Unsaturated Amides with Selectfluor

An efficient fluorocyclization of α,β-unsaturated amides through a formal halocyclization process is developed. The reaction proceeds under transition-metal-free conditions and leads to the formation of fluorinated oxazolidine-2,4-diones with excellent regio- and diastereoselectivity. The evaluation of the reaction mechanism based on preliminary experiments and density functional theory calculations suggests that a synergetic syn-oxo-fluorination occurs and is followed by an anti-oxo substitution reaction. The reaction opens a new window in the field of stereospecific fluorofunctionalization.

Kinetics and Mechanism of the Ivanov Reaction: Reaction of Aldehydes and Ketones with Phenylacetic Acit Magnesium Enediolate

Stopped-flow kinetics of the reaction between aldehydes or ketones and the magnesium enediolate of phenylacetic acid in THF are second order at enediolate concentrations -3 M.At concentrations of 10-3 - 3*10-2 M, the formation of a bis(enediolate) requires a more complex kinetic equation.Second-order rate constans are reported for the reaction of the enediolate with a number of aldehydes and ketones at 25 deg C.Entropies of activation for cyclohexanone, benzaldehyde, 2-methylpropanal, and 2,2-dimethylpropanal are positive, and enthalpy-entropy compensation is observed.Ef fects of cycloalkanone ring size and benzaldehyde substituents are small and are ascribable to a transition state with a very small C-C bond order.A two-step mechanism is proposed, with preequilibrium formation of a coordination intermediate which, in some cases, is accompanied by a change in the magnesium coordination number.Effects of alkyl groups on aldehyde and ketone reactivity stem mainly from steric desolvation.