226698-96-0

Basic information

• Product Name: Benzenemethanamine, alpha-ethynyl-4-fluoro- (9CI)
• Synonyms: Benzenemethanamine, alpha-ethynyl-4-fluoro- (9CI);1-(4-fluorophenyl)prop-2-yn-1-amine
• CAS NO: 226698-96-0
• Molecular Formula: C₉H₈FN
• Molecular Weight: 149.1649232
• Product Categories: HALIDE
• Mol File: 226698-96-0.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 211.9±25.0 °C(Predicted)
• Appearance: /
• Density: 1.137±0.06 g/cm3(Predicted)
• PKA: 7.09±0.10(Predicted)
• CAS DataBase Reference: Benzenemethanamine, alpha-ethynyl-4-fluoro- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Benzenemethanamine, alpha-ethynyl-4-fluoro- (9CI)(226698-96-0)
• EPA Substance Registry System: Benzenemethanamine, alpha-ethynyl-4-fluoro- (9CI)(226698-96-0)

Safety Data

• Hazardous Substances Data: 226698-96-0(Hazardous Substances Data)

Upstream product

• 226698-91-5 (+/-)-N-[1-(4-fluorophenyl)-2-propynyl]acetamide 
• 459-57-4 4-fluorobenzaldehyde 
• 3798-61-6 1-(4-fluorophenyl)prop-2-yn-1-ol 

Downstream Products

• 226699-03-2 (R)-1-(4-Fluoro-phenyl)-prop-2-ynylamine 
• 226699-16-7 (R)-1-(4-fluorophenyl)-2-propynylamine 
• 226699-10-1 N-[1-(4-fluoro-phenyl)-prop-2-ynyl]-acetamide 
• 226698-91-5 (+/-)-N-[1-(4-fluorophenyl)-2-propynyl]acetamide 
• 421554-12-3 (R)-N-acetyl-1-(4-fluorophenyl)prop-2-ynylamine 

Relevant articles and documents

Synthesis of enantiomerically pure α-[4-(1-substituted)-1,2,3-triazol-4-yl]-benzylacetamides via microwave-assisted click chemistry: towards new potential antimicrobial agents

Chiral 1-phenyl-2-propynylamines are important building blocks for the synthesis of antifungal and antiaromatase agents related to bifonazole. In this report, a microwave-assisted Cu(I)-catalyzed 'click chemistry' approach has been employed to easily generate a small library of enantiomerically pure α-[4-(1-substituted)-1,2,3-triazol-4-yl]benzylacetamides starting from racemic propargylamines. These compounds could represent easily accessible intermediates for the synthesis of new antimicrobial agents.

Resolution of (±)-1-aryl-2-propynylamines via acyltransfer catalyzed by Candida antarctica lipase

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