13105-78-7

Basic information

• Product Name: 2-[benzyl(prop-2-yn-1-yl)amino]ethanol
• CAS NO: 13105-78-7
• Molecular Formula: C₁₂H₁₅NO
• Molecular Weight: 189.2536
• Mol File: 13105-78-7.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 315.8°C at 760 mmHg
• Flash Point: 151.1°C
• Density: 1.07g/cm³
• Vapor Pressure: 0.00018mmHg at 25°C
• Refractive Index: 1.562
• CAS DataBase Reference: 2-[benzyl(prop-2-yn-1-yl)amino]ethanol(CAS DataBase Reference)
• NIST Chemistry Reference: 2-[benzyl(prop-2-yn-1-yl)amino]ethanol(13105-78-7)
• EPA Substance Registry System: 2-[benzyl(prop-2-yn-1-yl)amino]ethanol(13105-78-7)

Safety Data

• Hazardous Substances Data: 13105-78-7(Hazardous Substances Data)

Usage

Molecular structure

Benzyl group, amino group, ethylene chain, hydroxyl (alcohol) functional group

Applications

Pharmaceuticals, organic synthesis, building block for other compounds

Potential activities

Biological, pharmacological activities due to structural components

Upstream product

• 106-96-7 propargyl bromide 
• 104-63-2 N-Benzylethanolamine 
• 100-52-7 benzaldehyde 
• 110-88-3 1,3,5-Trioxan 
• 74-86-2 acetylene 
• 624-65-7 2-propynyl chloride 

Downstream Products

• 1575607-48-5 (2R, 3R)-3-(3-bromo-6,7-dihydro-[1,2,3]triazolo[1,5-a]pyrazin-5(4H)-yl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol 
• 1575607-50-9 (2R, 3R)-3-(3-chloro-6,7-dihydro-[1,2,3]triazolo[1,5-a]pyrazin-5(4H)-yl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol 
• 1575607-46-3 (2R,3R)-3-(6,7-dihydro-[1,2,3]triazolo[1,5-a]pyrazin-5(4H)-yl)-2-(2,4-difluoro-phenyl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol 
• 1575607-61-2 (2R,3R)-3-(3-(pyridin-3-yl)-6,7-dihydro-[1,2,3]triazolo[1,5-a]pyrazin-5(4H)-yl)-2-(2,4-difluoro-phenyl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol 
• 1575607-64-5 (2R,3R)-3-(3-(pyridin-4-yl)-6,7-dihydro-[1,2,3]triazolo[1,5-a]pyrazin-5(4H)-yl)-2-(2,4-difluoro-phenyl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol 
• 1575607-67-8 (2R,3R)-3-(3-(pyrimidin-5-yl)-6,7-dihydro-[1,2,3]triazolo[1,5-a]pyrazin-5(4H)-yl)-2-(2,4-difluoro-phenyl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol 
• 1305336-09-7 5-benzyl-4,5,6,7-tetrahydro-[1,2,3]triazolo[1,5-a]pyrazine 
• 1575607-70-3 (2R,3R)-3-(3-(2-cyano-pyridin-5-yl)-6,7-dihydro-[1,2,3]triazolo[1,5-a]pyrazin-5(4H)-yl)-2-(2,4-difluoro-phenyl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol 
• 1451740-03-6 7-(2-(benzyl(prop-2-yn-1-yl)amino)ethoxy)-2-phenyl-4H-chromen-4-one 
• 19708-12-4 3-benzyl-2-vinyl-oxazolidine 

Relevant articles and documents

Microwave-Assisted CuCl-Catalyzed Three-Component Reactions of Alkynes, Aldehydes, and Amino Alcohols

A microwave (MW)-assisted three-component coupling of amino alcohols, aldehydes, and alkynes is developed under catalysis by CuCl. Compared with thermal conditions, MW irradiation greatly increases the reaction efficiency. The reactions of various primary N -alkyl/arylamino alcohols, aliphatic/aromatic aldehydes, and alkynes are systematically investigated, affording the desired products in moderate to good yields. Notably, acetylene is also an effective reactant under the current MW-assisted conditions.

Design, synthesis, and structure-activity relationship studies of novel fused heterocycles-linked triazoles with good activity and water solubility

Triazoles with fused-heterocycle nuclei were designed and evaluated for their in vitro activity on the basis of the binding mode of albaconazole using molecular docking, along with SAR of antifungal triazoles. Tetrahydro-[1,2,4] triazolo[1,5-a]pyrazine and tetrahydro-thiazolo[5,4-c]pyridine nuclei were preferable to the other four fused-heterocycle nuclei investigated. Potent in vitro activity, broad spectrum and better water solubility were attained when triazoles containing nitrogen aromatic heterocycles were attached to these two nuclei. The most potent compounds 27aa and 45x, with low hERG inhibition and hepatocyte toxicity, both exhibited excellent activity against Candida, Cryptococcus, and Aspergillus spp., as well as selected fluconazole-resistant strains. A high water-soluble compound 58 (the disulfate salt of 45x) displayed unsatisfactory in vivo activity because of its poor PK profiles. Mice infected with C.alb. SC5314 and C.alb. 103 (fluconazole-resistant strain) and administered with 27aa displayed significantly improved survival rates. 27aa also showed favorable pharmacokinetic (PK) profiles.