3101-96-0

Basic information

• Product Name: 1-PHENYLETHAN-1-D1-OL
• Synonyms: SEC-PHENETHYL-ALPHA-D1 ALCOHOL;1-PHENYLETHAN-1-D1-OL;sec-Phenethyl-α-d1 alcohol;(±)-1-Phenylethan-d1-ol
• CAS NO: 3101-96-0
• Molecular Formula: C₈H₁₀O
• Molecular Weight: 123.17
• Mol File: 3101-96-0.mol
• Article Data: 59

Chemical Properties

• Melting Point: 19-20 °C(lit.)
• Boiling Point: 204 °C745 mm Hg(lit.)
• Flash Point: 86 °C
• Appearance: /
• Density: 1.020 g/mL at 25 °C
• CAS DataBase Reference: 1-PHENYLETHAN-1-D1-OL(CAS DataBase Reference)
• NIST Chemistry Reference: 1-PHENYLETHAN-1-D1-OL(3101-96-0)
• EPA Substance Registry System: 1-PHENYLETHAN-1-D1-OL(3101-96-0)

Safety Data

• Hazard Codes: Xn
• Statements: 22-38-41
• Safety Statements: 26-39
• RIDADR: UN 2937 6.1/PG 3
• WGK Germany: 1
• Hazardous Substances Data: 3101-96-0(Hazardous Substances Data)

Usage

Description

1-PHENYLETHAN-1-D1-OL, also known as (±)-1-Phenylethan-1-d1-ol, is an isotopically labeled research compound with the CAS number 3101-96-0. It is a derivative of 1-phenylethanol, which is an aromatic alcohol with a benzene ring and an ethanol group attached to it. The presence of deuterium (D) in the compound makes it a valuable tool for scientific research, particularly in the field of chemistry and biochemistry.

Uses

Used in Chemical Research:
1-PHENYLETHAN-1-D1-OL is used as an isotopically labeled compound for chemical research purposes. The incorporation of deuterium allows researchers to study the behavior of molecules and reactions involving 1-phenylethanol with enhanced accuracy and sensitivity.
Used in Biochemical Studies:
1-PHENYLETHAN-1-D1-OL is used as a research tool in biochemical studies to investigate the metabolism and interactions of 1-phenylethanol with biological systems. The deuterium labeling provides a means to track and analyze the compound's behavior in various biological processes.
Used in Pharmaceutical Development:
1-PHENYLETHAN-1-D1-OL is used as a research compound in the development of pharmaceuticals. Its isotopically labeled nature can help in understanding the drug's metabolism, distribution, and excretion, as well as its interaction with target proteins and enzymes.
Used in Analytical Chemistry:
1-PHENYLETHAN-1-D1-OL is used as a reference material in analytical chemistry for the calibration of instruments and the development of new methods for the detection and quantification of 1-phenylethanol and its derivatives.
Used in Environmental Studies:
1-PHENYLETHAN-1-D1-OL can be used as a tracer compound in environmental studies to monitor the presence and fate of 1-phenylethanol in various ecosystems, providing insights into its environmental impact and behavior.

Upstream product

• 71886-64-1 (S)-α-Deuterio-α-phenylethanol 
• 98-86-2 acetophenone 
• 71886-69-6 1-²H-1-phenylethyl hydrogen phthalate 
• 41203-27-4 1-chloro-1-deuterio-1-phenylethane 
• 70-11-1 α-bromoacetophenone 
• 98-85-1 1-Phenylethanol 
• 532-27-4 1-chloroacetophenone 
• 66228-30-6 9,9-dideuterio-N-methylacridan 
• 97012-03-8 1-phenylethyl-1-d hyponitrite 
• 68566-80-3 (S)-(+)-1-phenylethane-1-d₁ 
• 71698-86-7 (R)-(-)-1-deuterioethylbenzene 
• 1861-02-5 1-deuterioethylbenzene 
• 1861-01-4 ethylbenzene-1,1-d2 
• 100-42-5 styrene 

Downstream Products

• 71886-69-6 1-²H-1-phenylethyl hydrogen phthalate 
• 100-42-5 styrene 
• 41203-27-4 1-chloro-1-deuterio-1-phenylethane 
• 23088-41-7 1-phenylethyl-1-d₁ bromide 
• 3101-96-0 (+)-1-²H-1-phenylethanol 
• 3101-96-0 (-)-1-²H-1-phenylethanol 
• 1533-20-6 1,3-diphenylbutane-1-one 
• 98-86-2 acetophenone 
• 61898-90-6 4-deuterio-4-phenylbutan-2-one 
• 21273-02-9 1-deuterio-1-cyclohexanol 
• 1193-80-2 α-deuteriostyrene 
• 93698-11-4 3-deuterio-1,3-diphenyl-1-propanone 
• 1613320-62-9 2-phenylquinoline-3,4-d₂ 

Relevant articles and documents

The preparation and characterization of benzocyclobutenylidene-, naphtho[b]cyclobutenylidene-, and η2-benzocyclobutadiene-η5-cyclopentadienyldicarbonyliron hexafluorophosphate

The preparation and characterization of the first isolable cationic mononuclear complexes bearing a η2-cyclobutadienoid ligand or a carbene ligand lacking heteroatom stabilization are described. The reaction between 1-bromo-benzocyclobutene and Na[η5-C5H5(CO)2Fe] (NaFp) afforded η1-1-benzocyclobutenyl-η5-cyclopentadienyldicarbonyliron (III). Treatment of III with trityl hexafluorophosphate gave benzocyclobutenylidene-η5-cyclopentadienyldicarbonyliron hexafluorophosphate (V). Naphtho [b] cyclobutenylidene-η5-cyclopentadienyldicarbonyliron hexafluorophosphate (VI) was formed in an analogous manner. Both V and VI gave 1,1-disubstituted cyclobutenes when treated with nucleophilic reagents. η2-Benzocyclobutadiene-η5-cyclopentadienyldicarbonyliron hexafluorophosphate, (XIX), which was prepared by the oxidation of bis-1,2-(η5-cyclopentadienyldicarbonyliron)benzocyclobutene by trityl hexafluorophosphate, afforded trans-1,2-disubstituted benzocyclobutenes when treated with nucleophilic reagents. The η2-benzocyclobutadiene ligand of XIX was displaced by I- and trapped as the Diels--Alder adduct by 1,3-diphenylisobenzofuran.

Mechanism of Electrochemical Generation and Decomposition of Phthalimide-N-oxyl

PhthalimideN-oxyl (PINO) is a potent hydrogen atom transfer (HAT) catalyst that can be generated electrochemically fromN-hydroxyphthalimide (NHPI). However, catalyst decomposition has limited its application. This paper details mechanistic studies of the

A Heterogeneous Pt-ReOx/C Catalyst for Making Renewable Adipates in One Step from Sugar Acids

Renewable adipic acid is a value-added chemical for the production of bioderived nylon. Here, the one-step conversion of mucic acid to adipates was achieved in high yield through deoxydehydration (DODH) and catalytic transfer hydrogenation (CTH) by a bifunctional Pt-ReOx/C heterogeneous catalyst with isopropanol as solvent and reductant. The Pt-ReOx/C catalyst is reusable and was regenerated at least five times. The catalyst exhibits a broad substrate scope of various diols. Spectroscopic studies of Pt-ReOx/C revealed ReVII and Pt0 as the relevant species for DODH and CTH, respectively. Isotope labeling experiments support a monohydride mechanism for CTH over Pt. This work demonstrates a reusable bifunctional catalyst for a one-step valorization of sugar acids to a practical monomer, which opens the door to multifunctional catalysis streamlining valorization of biomass-derived molecules.

Gold-Catalyzed Friedel–Crafts-Like Reaction of Benzylic Alcohols to Afford 1,1-Diarylalkanes

A gold-catalyzed, Friedel–Crafts-like benzylation of unactivated benzylic alcohols to form 1,1-diarylalkanes has been developed. The operationally convenient method uses only 1.3 equivalents of the electron-rich arene, employs readily available starting m