23745-45-1

Basic information

• Product Name: propan-2-yl [4-(trifluoromethyl)phenyl]carbamate
• CAS NO: 23745-45-1
• Molecular Formula: C₁₁H₁₂F₃NO₂
• Molecular Weight: 247.2137
• Mol File: 23745-45-1.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 235.4°C at 760 mmHg
• Flash Point: 96.2°C
• Density: 1.262g/cm³
• Vapor Pressure: 0.0501mmHg at 25°C
• Refractive Index: 1.488
• CAS DataBase Reference: propan-2-yl [4-(trifluoromethyl)phenyl]carbamate(CAS DataBase Reference)
• NIST Chemistry Reference: propan-2-yl [4-(trifluoromethyl)phenyl]carbamate(23745-45-1)
• EPA Substance Registry System: propan-2-yl [4-(trifluoromethyl)phenyl]carbamate(23745-45-1)

Safety Data

• Hazardous Substances Data: 23745-45-1(Hazardous Substances Data)

Upstream product

• 122-42-9 carbamic acid, phenyl-, 1-methylethyl ester 
• 2926-29-6 Langlois reagent 
• 67-63-0 isopropyl alcohol 
• 1548-13-6 p-trifluoromethyl-phenylisocyanate 

Relevant articles and documents

Photoredox-Catalyst-Enabled para-Selective Trifluoromethylation of tert-Butyl Arylcarbamates

The direct incorporation of a trifluoromethyl group on an aromatic ring using a radical pathway has been extensively investigated. However, the direct highly para-selective C?H trifluoromethylation of a class of arenes has not been achieved. In this study, we report a light-promoted 4,5-dichlorofluorescein (DCFS)-enabled para-selective C?H trifluoromethylation of arylcarbamates using Langlois reagent. The preliminary mechanistic study revealed that the activated organic photocatalyst coordinated with the arylcarbamate led to para-selective C?H trifluoromethylation. Ten-gram scale reaction performs well highlighting the synthetic importance of this new protocol.