863868-80-8

Basic information

• Product Name: Thiourea, N-[3,5-bis(trifluoromethyl)phenyl]-N'-[[(2S)-1-methyl-2-pyrrolidinyl]methyl ]-
• CAS NO: 863868-80-8
• Molecular Formula: C15H17F6N3S
• Molecular Weight: 385.376
• Mol File: 863868-80-8.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: Thiourea, N-[3,5-bis(trifluoromethyl)phenyl]-N'-[[(2S)-1-methyl-2-pyrrolidinyl]methyl ]-(CAS DataBase Reference)
• NIST Chemistry Reference: Thiourea, N-[3,5-bis(trifluoromethyl)phenyl]-N'-[[(2S)-1-methyl-2-pyrrolidinyl]methyl ]-(863868-80-8)
• EPA Substance Registry System: Thiourea, N-[3,5-bis(trifluoromethyl)phenyl]-N'-[[(2S)-1-methyl-2-pyrrolidinyl]methyl ]-(863868-80-8)

Safety Data

• Hazardous Substances Data: 863868-80-8(Hazardous Substances Data)

Upstream product

• 23165-29-9 3,5-bistrifluoromethylphenylisothiocyanate 
• 66411-54-9 1-[(2S)-1-methylpyrrolidin-2-yl]methanamine 

Relevant articles and documents

Structural optimization of thiourea-based bifunctional organocatalysts for the highly enantioselective dynamic kinetic resolution of azlactones

This article describes the synthesis of a library of structurally diverse bifunctional organocatalysts bearing both a quasi-Lewis acidic (thio)urea moiety and a Bronsted basic tertiary amine group. Sequential modification of the modular catalyst structure and subsequent screening of the compounds in the alcoholytic dynamic kinetic resolution (DKR) of azlactones revealed valuable structure-activity relationships. In particular, a "hit-structure" was identified which provides e.g. N-benzoyl-tert-leucine allyl ester in an excellent enantiomeric excess of 95%. The Royal Society of Chemistry 2006.