49681-79-0

Basic information

• Product Name: phenyl ethanol-d1
• Synonyms: phenyl ethanol-d1
• CAS NO: 49681-79-0
• Molecular Weight: 123.159
• Mol File: 49681-79-0.mol
• Article Data: 4

Chemical Properties

• CAS DataBase Reference: phenyl ethanol-d1(CAS DataBase Reference)
• NIST Chemistry Reference: phenyl ethanol-d1(49681-79-0)
• EPA Substance Registry System: phenyl ethanol-d1(49681-79-0)

Safety Data

• Hazardous Substances Data: 49681-79-0(Hazardous Substances Data)

Upstream product

• 67662-96-8 2-phenethyl pivalate 
• 94-47-3 2-Phenylethyl benzoate 
• 7476-91-7 chloroacetic acid 2-phenylethyl ester 
• 95932-33-5 carbonic acid tert-butyl ester 2-phenylethyl ester 
• 103-45-7 acetic acid phenethyl ester 
• 1455-13-6 deuteromethanol 
• 17876-99-2 (4-chlorobenzyl)trimethylsilane 
• 1833-42-7 (3-chlorobenzyl)trimethylsilane 
• 68307-67-5 2-chloro[(trimethylsilyl)methyl]benzene 
• 96-09-3 styrene oxide 
• 60-12-8 2-phenylethanol 

Downstream Products

• 3536-29-6 2,3-diphenyl-1-propanol 

Relevant articles and documents

Selective palladium nanoparticles-catalyzed hydrogenolysis of industrially targeted epoxides in water

Palladium nanoparticles, with core sizes of ca. 2.5 nm, were easily synthesized by chemical reduction of Na2PdCl4 in the presence of hydroxyethylammonium salts and proved to be efficient for the selective hydrogenolysis of various aromatic, alkylphenyl, aliphatic epoxides in water as green solvent. Capping agents of the metal species were screened to define the most suitable micellar nanoreactors on two target substrates of industrial interest, epoxystyrene and 7,8-epoxy-2-methoxy-2,6-dimethyloctane. In our conditions, the hydrogenolysis of epoxystyrene proved to be pH-dependent, producing either the diol under acidic conditions, or the sweet-smelling 2-phenylethanol in the presence of a base. Promisingly, 7,8-epoxy-2-methoxy-2,6-dimethyloctane was completely and selectively hydrogenated into Florsantol, a sandalwood odorant at a multigram scale (40 g and up to 175g). A general mechanism for the palladium nanoparticles-catalyzed hydrogenolysis of terminal epoxides was proposed according to steric and electronic properties and finely corroborated with deuterium labelling experiments.

Singlet vs Triplet Reactivity of Photogenerated α,n-Didehydrotoluenes

The reactivity of α,n-didehydrotoluenes (DHTs) in protic media (organic/aqueous mixtures) was explored by means of a combined computational and experimental approach. These intermediates were generated via a photoinduced double elimination process occurring in (chlorobenzyl)trimethylsilanes and led to the formation of a varied products distribution, depending on the isomer tested. Irradiation of ortho- and para-derivatives resulted, respectively, in the formation of triplet α,2- and α,4-DHTs, whose diradical reactivity led to both radical and polar products. On the other hand, irradiation of the meta-precursor led to the singlet α,3-DHT isomer. The latter showed a marked preference for the formation of polar products and this was rationalized, as supported by computational evidence, via the involvement of a zwitterionic species arising through interaction of the nucleophilic solvent with the benzylic position of the DHT.