4412-08-2

Basic information

• Product Name: 3-methyl-2-phenylbut-2-enoic acid
• CAS NO: 4412-08-2
• Molecular Formula: C₁₁H₁₂O₂
• Molecular Weight: 176.2118
• Mol File: 4412-08-2.mol

Chemical Properties

• Boiling Point: 280.3°C at 760 mmHg
• Flash Point: 186.6°C
• Density: 1.093g/cm³
• Vapor Pressure: 0.00182mmHg at 25°C
• Refractive Index: 1.551
• CAS DataBase Reference: 3-methyl-2-phenylbut-2-enoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 3-methyl-2-phenylbut-2-enoic acid(4412-08-2)
• EPA Substance Registry System: 3-methyl-2-phenylbut-2-enoic acid(4412-08-2)

Safety Data

• Hazardous Substances Data: 4412-08-2(Hazardous Substances Data)

Upstream product

• 18670-23-0 β,β-dimethyl-α-phenylacrylonitrile 
• 5912-93-6 1-bromo-2-methyl-1-phenyl-1-propene 
• 124-38-9 carbon dioxide 
• 33147-23-8 3-Methyl-2-phenyl-but-2-enoic acid tert-butyl ester 
• 23985-59-3 3-hydroxy-2,2-dimethyl-3-phenylpropanoic acid 
• 52178-65-1 ethyl 3-hydroxy-2,2-dimethyl-3-phenylpropanoate 
• 6343-61-9 3-Hydroxy-3-methyl-2-phenylbutanoic acid 
• 103-82-2 phenylacetic acid 
• 67-64-1 acetone 
• 673-32-5 1-Phenylprop-1-yne 
• 75-16-1 methylmagnesium bromide 
• 920-39-8 isopropylmagnesium bromide 
• 62461-01-2 4-methyl-N'-(2-methyl-1-phenylpropylidene)benzenesulfonohydrazide 
• 611-73-4 Benzoylformic acid 

Downstream Products

• 33131-36-1 methyl 3-methyl-2-phenylbut-2-enoate 
• 95277-73-9 6β-(3-methyl-2-phenyl-but-2-enoylamino)-penicillanic acid 
• 91193-02-1 3-methyl-2-phenyl-crotonoyl chloride 
• 33131-54-3 4-Bromo-3-bromomethyl-2-phenyl-but-2-enoic acid 
• 6335-78-0 ethyl isopropylidenephenylacetic carboxylate 
• 13490-69-2 (S)-2-phenyl-3-methylbutyric acid 
• 13491-13-9 (R)-2-isopropyl-2-phenylacetic acid 
• 611-73-4 Benzoylformic acid 
• 67-64-1 acetone 
• 64859-24-1 N-Phenyl-3-methyl-2-phenyl-2-butenamid 
• 85181-61-9 C₁₁H₁₁O⁽¹⁺⁾ 

Relevant articles and documents

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1,2-Shift of a Carboxyl Group in a Wagner-Meerwein Rearrangement

On treatment with HSO3F in SO2Cl at 0 deg C, 3-hydroxy-2,2-dimethyl-3-phenylpropionic acid (1a) is trasformed into 2-phenyl-3-methyl-2-butenoic acid (2a) (isolated yield: 40-44percent).Using monolabelled -1a (1a*) and doubly labelled 2>-1a (1a**), the migration of HOOC (or a mechanistically equivalent group) was proved; a cross experiment established the intramolecular character of the rearrangement.By following the reaction at low temperature in an NMR. spectrometer, the formation of intermediates and side products was demonstrated.