52721-69-4

Basic information

• Product Name: 2-FLUOROPHENETHYLAMINE
• Synonyms: 2-FLUOROPHENETHYLAMINE;RARECHEM AL BW 0202;2-FLUOROPHETHYLAMINE 99%;2-Fluorophenethylamine ,98%;2-Fluorophenethylamine,99%;FluorophenethylaMiner;2-FluorobenzeneethanaMine;BenzeneethanaMine,2-fluoro-
• CAS NO: 52721-69-4
• Molecular Formula: C₈H₁₀FN
• Molecular Weight: 139.17
• Product Categories: Amines and Anilines;Amines;C8;Nitrogen Compounds;Fluorine series
• Mol File: 52721-69-4.mol
• Article Data: 8

Chemical Properties

• Boiling Point: 64 °C0.6 mm Hg(lit.)
• Flash Point: 171 °F
• Appearance: Clear yellow to dark yellow to orange/Liquid
• Density: 1.066 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.0333mmHg at 25°C
• Refractive Index: n20/D 1.51(lit.)
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• PKA: 9.47±0.10(Predicted)
• CAS DataBase Reference: 2-FLUOROPHENETHYLAMINE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-FLUOROPHENETHYLAMINE(52721-69-4)
• EPA Substance Registry System: 2-FLUOROPHENETHYLAMINE(52721-69-4)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• RIDADR: UN 2735 8/PG 2
• WGK Germany: 3
• HazardClass: 8
• PackingGroup: II
• Hazardous Substances Data: 52721-69-4(Hazardous Substances Data)

Usage

Chemical Properties

Clear pale yellow to slightly pink liquid

Uses

2-Fluorophenethylamine may be used in the synthesis of ethyl 2-cyano-3-(N-2-fluorophenethylamino)-3-methythioacrylate. It may be used for the derivatization of methoxybenzaldehyde polystyrene resin.

General Description

2-Fluorophenethylamine is an amine.

InChI:InChI=1/C8H10FN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5-6,10H2/p+1

Upstream product

• 451-69-4 2-fluorocinnamic acid 
• 2629-55-2 2-fluoro-DL-phenylalanine 
• 75321-85-6 2-(2-fluorophenyl)acetaldehyde 
• 74249-17-5 (S)-2-(2-fluorophenyl)oxirane 
• 394-46-7 2-fluorostyrene 
• 446-52-6 2-Fluorobenzaldehyde 
• 50919-06-7 2-(2-fluorophenyl)ethanol 
• 399-25-7 1-fluoro-2-(2-nitro-vinyl)-benzene 

Downstream Products

• 291313-93-4 N,N-bis(benzotriazol-1-ylmethyl)-2-fluoro-β-phenylethylamine 
• 214613-86-2 1-(2-fluorophenethyl)piperidin-4-one 
• 1104075-99-1 C₂₂H₂₁ClFN₅S 
• 1180007-72-0 C₉H₉F₄NO₂S 
• 854133-23-6 2-ethyl-N-[2-(2-fluoro-phenyl)-ethyl]-3-oxo-butyramide 
• 1311885-27-4 C₁₇H₁₇FN₂O₃S 
• 1311765-21-5 C₁₈H₁₈FNO₃S 
• 1311589-71-5 C₁₈H₁₈FNO₃S 
• 1311483-39-2 C₁₈H₂₀FN₃O₃ 
• 950502-89-3 [3-({tert-butoxycarbonyl-[2-(2-fluoro-phenyl)-ethyl]-amino}-methyl)-4-methoxy-phenyl]-acetic acid methyl ester 
• 950502-90-6 [2-(2-fluoro-phenyl)-ethyl]-[5-(2-hydroxy-ethyl)-2-methoxy-benzyl]-carbamic acid tert-butyl ester 

Relevant articles and documents

Bi-enzymatic Conversion of Cinnamic Acids to 2-Arylethylamines

The conversion of carboxylic acids, such as acrylic acids, to amines is a transformation that remains challenging in synthetic organic chemistry. Despite the ubiquity of similar moieties in natural metabolic pathways, biocatalytic routes seem to have been overlooked for this purpose. Herein we present the conception and optimisation of a two-enzyme system, allowing the synthesis of β-phenylethylamine derivatives from readily-available ring-substituted cinnamic acids. After characterisation of both parts of the reaction in a two-step approach, a set of conditions allowing the one-pot biotransformation was optimised. This combination of a reversible deaminating and irreversible decarboxylating enzyme, both specific for the amino acid intermediate in tandem, represents a general method by which new strategies for the conversion of carboxylic acids to amines could be designed.

Biocatalytic Formal Anti-Markovnikov Hydroamination and Hydration of Aryl Alkenes

Biocatalytic anti-Markovnikov alkene hydroamination and hydration were achieved based on two concepts involving enzyme cascades: epoxidation-isomerization-amination for hydroamination and epoxidation-isomerization-reduction for hydration. An Escherichia coli strain coexpressing styrene monooxygenase (SMO), styrene oxide isomerase (SOI), ω-transaminase (CvTA), and alanine dehydrogenase (AlaDH) catalyzed the hydroamination of 12 aryl alkenes to give the corresponding valuable terminal amines in high conversion (many ≥86%) and exclusive anti-Markovnikov selectivity (>99:1). Another E. coli strain coexpressing SMO, SOI, and phenylacetaldehyde reductase (PAR) catalyzed the hydration of 12 aryl alkenes to the corresponding useful terminal alcohols in high conversion (many ≥80%) and very high anti-Markovnikov selectivity (>99:1). Importantly, SOI was discovered for stereoselective isomerization of a chiral epoxide to a chiral aldehyde, providing some insights on enzymatic epoxide rearrangement. Harnessing this stereoselective rearrangement, highly enantioselective anti-Markovnikov hydroamination and hydration were demonstrated to convert α-methylstyrene to the corresponding (S)-amine and (S)-alcohol in 84-81% conversion with 97-92% ee, respectively. The biocatalytic anti-Markovnikov hydroamination and hydration of alkenes, utilizing cheap and nontoxic chemicals (O2, NH3, and glucose) and cells, provide an environmentally friendly, highly selective, and high-yielding synthesis of terminal amines and alcohols.

2-aminobenzoxazole derivatives and combinatorial libraries thereof

The present invention relates to novel 2-aminobenzoxazole derivative compounds of the following formula: wherein R1 to R4 and Z have the meanings provided herein. The invention further relates to combinatorial libraries containing two or more such compounds, as well as methods of preparing 2-aminobenzoxazole derivative compounds.