2035-94-1

Basic information

• Product Name: BETA-ETHYLPHENETHYL ALCOHOL 98
• Synonyms: BETA-ETHYLPHENETHYL ALCOHOL 98;(±)-2-phenyl-butan-1-ol;1-Butanol, 2-phenyl;Benzeneethanol, beta-ethyl-;2-phenylbutane-1-ol;DL-BETA-ETHYLPHENETHYL ALCOHOL 98%;2-Phenylbutyl alcohol;DL-beta-Ethylphenethyl alcohol,98%
• CAS NO: 2035-94-1
• Molecular Formula: C₁₀H₁₄O
• Molecular Weight: 150.21756
• EINECS: 218-003-2
• Mol File: 2035-94-1.mol
• Article Data: 32

Chemical Properties

• Boiling Point: 234-236 °C(lit.)
• Flash Point: 215 °F
• Appearance: clear yellow liquid
• Density: 0.959 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.0283mmHg at 25°C
• Refractive Index: n20/D 1.519(lit.)
• CAS DataBase Reference: BETA-ETHYLPHENETHYL ALCOHOL 98(CAS DataBase Reference)
• NIST Chemistry Reference: BETA-ETHYLPHENETHYL ALCOHOL 98(2035-94-1)
• EPA Substance Registry System: BETA-ETHYLPHENETHYL ALCOHOL 98(2035-94-1)

Safety Data

• Safety Statements: S24/25:Avoid contact with skin and eyes.
• WGK Germany: 3
• Hazardous Substances Data: 2035-94-1(Hazardous Substances Data)

Usage

Chemical Properties

clear yellow liquid

Uses

(±)-2-Phenylbutanol is used as a reagent in the synthesis of carbamate derivatives of Felbamate (F231000), as potential anticonvulsant agents. (±)-2-Phenylbutanol is also used to prepare analogs of O-(2-phenylethyl)-N-phenylthiocarbamate which can serve as non-nucleoside HIV-1 reverse transcriptase inhibitors.

InChI:InChI=1/C10H14O/c1-2-9(8-11)10-6-4-3-5-7-10/h3-7,9,11H,2,8H2,1H3/t9-/m1/s1

Upstream product

• 99074-90-5 (2-ethyl-phenyl)-acetic acid amide 
• 96-09-3 styrene oxide 
• 2397-68-4 sodium tetraethylaluminate 
• 64-17-5 ethanol 
• 90-26-6 2-phenylbutyramide 
• 108-88-3 toluene 
• 119-43-7 ethyl 2-phenylbutanoate 
• 97-93-8 triethylaluminum 
• 769-68-6 2-phenylbutanenitrile 
• 872045-33-5 (1-methoxybut-1-en-2-yl)benzene 
• 4009-98-7 (methoxymethyl)triphenylphosphonium chloride 
• 101-97-3 Ethyl 2-phenylethanoate 
• 637-50-3 1-phenylpropene 
• 201230-82-2 carbon monoxide 

Downstream Products

• 61257-27-0 4-nitro-benzoic acid-(2-phenyl-butyl ester) 
• 105263-17-0 Methyl-phosphonic acid (S)-2-phenyl-butyl ester (R)-2-phenyl-butyl ester 
• 105263-17-0 Methyl-phosphonic acid bis-((R)-2-phenyl-butyl) ester 
• 128126-09-0 (3,5-Dinitro-phenyl)-carbamic acid (R)-2-phenyl-butyl ester 
• 137037-10-6 (3,5-Dinitro-phenyl)-carbamic acid (S)-2-phenyl-butyl ester 
• 109114-13-8 (+/-)-2-phenylbutyl acetate 
• 33442-47-6 (S)-2-phenylbutan-1-ol 
• 16460-75-6 (R)-2-phenyl-butan-1-ol 
• 172585-58-9 (S)-2-phenylbutyl acetate 
• 93-55-0 1-phenyl-propan-1-one 
• 91246-80-9 (R,S)-2-phenylbutyl carbamate 
• 90925-48-7 2-phenylbutane-1,2-diol 

Relevant articles and documents

Ureide ring scission of phenobarbital by sodium borohydride.

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Copper-catalyzed hydroformylation and hydroxymethylation of styrenes

Hydroformylation catalyzed by transition metals is one of the most important homogeneously catalyzed reactions in industrial organic chemistry. Millions of tons of aldehydes and related chemicals are produced by this transformation annually. However, most of the applied procedures use rhodium catalysts. In the procedure described here, a copper-catalyzed hydroformylation of alkenes has been realized. Remarkably, by using a different copper precursor, the aldehydes obtained can be further hydrogenated to give the corresponding alcohols under the same conditions, formally named as hydroxymethylation of alkenes. Under pressure of syngas, various aldehydes and alcohols can be produced from alkenes with copper as the only catalyst, in excellent regioselectivity. Additionally, an all-carbon quaternary center containing ethers and formates can be synthesized as well with the addition of unactivated alkyl halides. A possible reaction pathway is proposed based on our results. This journal is

syn-Selective Michael Reaction of α-Branched Aryl Acetaldehydes with Nitroolefins Promoted by Squaric Amino Acid Derived Bifunctional Br?nsted Bases

Here we describe a direct access to 2,2,3-trisubstituted syn γ-nitroaldehydes by addition of α-branched aryl acetaldehydes to nitroolefins promoted by a cinchona based squaric acid-derived amino acid peptide. Different α-methyl arylacetaldehydes react with β-aromatic and β-alkyl nitroolefins to afford the Michael adducts in high enantioselectivity and syn-selectivity. NMR experiments and DFT calculations predict the reaction to occur through the intermediacy of E-enolate. The interaction between the substrates and the catalyst follows Pápai's model, wherein an intramolecular H-bond interaction in the catalyst between the NH group of one of the tert-leucines and the squaramide oxygen seems to be key for discrimination of the corresponding reaction transition states.