1196498-84-6

Basic information

• Product Name: C₁₈H₂₁F₃O₆
• CAS NO: 1196498-84-6
• Molecular Weight: 390.356
• Mol File: 1196498-84-6.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: C₁₈H₂₁F₃O₆(CAS DataBase Reference)
• NIST Chemistry Reference: C₁₈H₂₁F₃O₆(1196498-84-6)
• EPA Substance Registry System: C₁₈H₂₁F₃O₆(1196498-84-6)

Safety Data

• Hazardous Substances Data: 1196498-84-6(Hazardous Substances Data)

Upstream product

• 856646-71-4 2-hydroxy-3,3-dimethyl-4-oxo-butxyric acid ethyl ester 
• 39637-99-5 (S)-(+)-2-methoxy-2-trifluoromethyl-2-phenylacetyl chloride 
• 1196498-52-8 2(R)-hydroxy-3,3-dimethyl-4-oxo-butxyric acid ethyl ester 
• 20445-31-2 R-(+)-α-trifluoromethyl-α-methoxy-phenylacetic acid 

Relevant articles and documents

Stereoselectivities of histidine-catalyzed asymmetric aldol additions and contrasts with proline catalysis: A quantum mechanical analysis

Quantum mechanical calculations reveal the origin of diastereo- and enantioselectivities of aldol reactions between aldehydes catalyzed by histidine, and differences between related reactions catalyzed by proline. A stereochemical model that explains both the sense and the high levels of the experimentally observed stereoselectivity is proposed. The computations suggest that both the imidazolium and the carboxylic acid functionalities of histidine are viable hydrogen-bond donors that can stabilize the cyclic aldolization transition state. The stereoselectivity is proposed to arise from minimization of gauche interactions around the forming C-C bond.