70841-95-1

Basic information

• Product Name: 2-methyl-3-phenylpropanoic acid-α,β-d₂
• Synonyms: 2-methyl-3-phenylpropanoic acid-α,β-d₂
• CAS NO: 70841-95-1
• Molecular Weight: 166.188
• Mol File: 70841-95-1.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: 2-methyl-3-phenylpropanoic acid-α,β-d₂(CAS DataBase Reference)
• NIST Chemistry Reference: 2-methyl-3-phenylpropanoic acid-α,β-d₂(70841-95-1)
• EPA Substance Registry System: 2-methyl-3-phenylpropanoic acid-α,β-d₂(70841-95-1)

Safety Data

• Hazardous Substances Data: 70841-95-1(Hazardous Substances Data)

Upstream product

• 1895-97-2 2-methyl-3-phenylacrylic acid 
• 1199-77-5 α-methylcinnamic acid 
• 100-52-7 benzaldehyde 

Downstream Products

• 87482-91-5 3-deuterio-2-methyl-3-phenylpropionic acid 
• 118115-76-7 2,3-dideutero-2-methyl-3-phenyl-1-propanol 

Relevant articles and documents

Synthesis of different deuterated carboxylic acids from unsaturated acids promoted by samarium diiodide and D2O

An easy, and rapid reduction of the C=C bond of α,β-unsaturated acids by means of samarium diiodide in the presence of D2O provides an efficient method for synthesizing 2,3-dideuterio acids. Starting from alka-2,4-dienoic acids, (E)-α,δ-dideuterio-βγ-unsaturated acids are obtained, the new C=C bond being generated with complete diastereoselectivity. When H2O is used instead of D2O, saturated carboxylic acids and (E)-β,γ-unsaturated acids are isolated. A mechanism to explain each synthesis has been proposed.

Conformational Analysis of 1,1,2-Trisubstituted Ethanes by PMR: Part I - 3-Aryl-2-methylpropanols

A self-consistent model for the conformational analysis of 1,1,2-trisubstituted ethanes is developed, based on the temperature dependence of vicinal proton-proton coupling constants.Synthesis of racemates of 2(R), 3(S)- and 2(S), 3(R)-2,3-dideutero-2-methyl-3-phenyl-1-propanols is accomplished using known reactions of well-defined stereochemistry.By comparing the PMR spectra of undeuterated and deuterated compounds, an unequivocal assignment of benzylic protons is made.Concentration and variable-temperature studies have revealed the existence of very weak intramolecular interaction in three alcohols, p-R-C6H4-CH2-CHMe-CH2-OH, where R = NO2, H and OMe.