83867-96-3

Basic information

• Product Name: Benzenepropanoic acid, b-(1,1-dimethylethyl)-
• CAS NO: 83867-96-3
• Molecular Formula: C13H18O2
• Molecular Weight: 206.285
• Mol File: 83867-96-3.mol
• Article Data: 7

Chemical Properties

• CAS DataBase Reference: Benzenepropanoic acid, b-(1,1-dimethylethyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzenepropanoic acid, b-(1,1-dimethylethyl)-(83867-96-3)
• EPA Substance Registry System: Benzenepropanoic acid, b-(1,1-dimethylethyl)-(83867-96-3)

Safety Data

• Hazardous Substances Data: 83867-96-3(Hazardous Substances Data)

Upstream product

• 103085-18-3 4,4-dimethyl-3-phenylpentanoyl chloride 
• 677-22-5 tert-butylmagnesium chloride 
• 621-82-9 Cinnamic acid 
• 57042-19-0 (+/-)-ethyl 4,4-dimethyl-3-phenylpentanoate 
• 35225-79-7 dibenzylideneacetone 
• 3282-30-2 pivaloyl chloride 
• 92156-75-7 3-hydroxy-4,4-dimethyl-3-phenylpentanoic acid 
• 3835-64-1 2,2-dimethyl-1-phenylpropan-1-ol 
• 938-16-9 2,2-dimethylpropiophenone 
• 140-10-3 (E)-3-phenylacrylic acid 
• 594-19-4 tert.-butyl lithium 
• 6975-07-1 (+/-)-2.2-dimethyl-3.7t-diphenyl-hepten-⁽⁶⁾-one-⁽⁵⁾ 
• 100-52-7 benzaldehyde 
• 100-47-0 benzonitrile 

Downstream Products

• 61136-73-0 (+/-)-4,4-dimethyl-3-phenyl-1-pentanol 
• 1286204-32-7 (R)-ethyl 4,4-dimethyl-3-phenylpentanoate 
• 1286204-33-8 (S)-ethyl 4,4-dimethyl-3-phenylpentanoate 
• 24425-68-1 (S)-4,4-dimethyl-3-phenylpentanoic acid 
• 23406-59-9 (R)-4,4-dimethyl-3-phenylpentanoic acid 
• 57042-19-0 (+/-)-ethyl 4,4-dimethyl-3-phenylpentanoate 
• 137542-89-3 (S)-(-)-4,4-dimethyl-3-phenyl-1-pentanol 
• 103085-18-3 4,4-dimethyl-3-phenylpentanoyl chloride 

Relevant articles and documents

Identification of an Esterase Isolated Using Metagenomic Technology which Displays an Unusual Substrate Scope and its Characterisation as an Enantioselective Biocatalyst

Evaluation of an esterase annotated as 26D isolated from a marine metagenomic library is described. Esterase 26D was found to have a unique substrate scope, including synthetic transformations which could not be readily effected in a synthetically useful manner using commercially available enzymes. Esterase 26D was more selective towards substrates which had larger, more sterically demanding substituents (i. e. iso-propyl or tert-butyl groups) on the β-carbon, which is in contrast to previously tested commercially available enzymes which displayed a preference for substrates with sterically less demanding substituents (e.g. methyl group) at the β-carbon. (Figure presented.).

Lipase catalyzed acylation of primary alcohols with remotely located stereogenic centres: the resolution of (±)-4,4-dimethyl-3-phenyl-1-pentanol

Enantioselective acylation of some (±)-3-alkyl-3-phenyl-1-propanols was performed with enzymes as catalysts. Moderate enantiomeric ratios (E), ranging up to E = 11.6, were obtained. In the resolution, some of the lipases selectively acylated the (+)-enant

Addition of organolithium reagents to cinnamic acids

Reaction of tert-butyllithium with p- and m-substituted cinnamic acids at low temperature affords mixtures of 1,4- and 1,3-addition products, whose composition depend on the nature of the substituents. Electron-donating and electron-withdrawing groups favour 1,4- and 1,3-additions, respectively. Linear correlations are obtained with electronic effect and with radical substituent constants.