19731-91-0

Basic information

• Product Name: α,β-Dimethylhydrocinnamic acid
• Synonyms: 2-METHYL-3-PHENYLBUTYRIC ACID
• CAS NO: 19731-91-0
• Molecular Formula: C₁₁H₁₄O₂
• Molecular Weight: 178.22766
• Mol File: 19731-91-0.mol
• Article Data: 9

Chemical Properties

• Boiling Point: 282.1°C at 760 mmHg
• Flash Point: 179.3°C
• Appearance: /
• Density: 1.063g/cm³
• Vapor Pressure: 0.00162mmHg at 25°C
• Refractive Index: 1.523
• CAS DataBase Reference: α,β-Dimethylhydrocinnamic acid(CAS DataBase Reference)
• NIST Chemistry Reference: α,β-Dimethylhydrocinnamic acid(19731-91-0)
• EPA Substance Registry System: α,β-Dimethylhydrocinnamic acid(19731-91-0)

Safety Data

• Hazardous Substances Data: 19731-91-0(Hazardous Substances Data)

Usage

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

Upstream product

• 91142-53-9 2-methyl-3-phenyl-crotonic acid 
• 80-59-1 Tiglic acid 
• 591-51-5 phenyllithium 
• 7446-70-0 aluminium trichloride 
• 71-43-2 benzene 
• 4593-90-2 3-phenylbutyric acid 
• 74-88-4 methyl iodide 
• 14990-09-1 tert-butyl cinnamate 
• 57956-39-5 3-hydroxy-2-methyl-3-phenylbutyric acid methyl ester 
• 98-86-2 acetophenone 
• 25289-62-7 ethyl 2-methyl-3-phenyl-3-butenoate 
• 708-83-8 (2E)-2-methyl-3-phenylbut-2-enoic acid 
• 101-39-3 2-methyl-3-phenyl-2-propenal 
• 42879-13-0 Ethyl 2-methyl-3-phenylbutanoate 

Downstream Products

• 54541-41-2 methyl 2-methyl-3-phenylbutanoate 
• 64969-62-6 (+/-)-erythro-3-methylamino-2-phenyl-butane 
• 130292-29-4 α-methyl-β-phenylbutyryl chloride 
• 109640-15-5 ethyl 2-methyl-3-phenylbutanoate 
• 121560-23-4 (+/-)-threo-2-methyl-3-phenyl-butyryl chloride 
• 21906-17-2 1,2-trans-dimethyl-2-phenylethylamine 
• 42879-13-0 Ethyl 2-methyl-3-phenylbutanoate 
• 116195-24-5 (2-methyl-3-phenyl-butanoyl)bornane-10,2-sultam 

Relevant articles and documents

Developing Pd(II) catalyzed double sp3 C-H alkoxylation for synthesis of symmetric and unsymmetric acetals

An effective Pd(II) catalyzed double unactivated C(sp3)-H alkoxylation has been developed to prepare both symmetric and unsymmetric acetals. This new reaction demonstrates good functional group tolerance, excellent reactivity, and high yields. A variety of novel acetals can be readily accessed via this new method. (Chemical Equation Presented).

Conjugate addition of organolithium reagents to α,β-unsaturated carbocyclic acids

Conjugate addition of primary, secondary, tertiary alkyi and phenyl lithium reagents to 2-alkenoic acids affords good yields of branched saturated carboxylic acids. Methyl groups at the α- and β-carbon of the 2-alkenoic acid decrease reactivity as acceptors, and foster deprotonation, respectively. The lithium enediolate resulting from the conjugate addition can react with electrophiles. PM3 calculations are in agreement with the substituent effects.