42268-68-8

Basic information

• Product Name: ALLYL-PROP-2-YNYL-AMINE
• Synonyms: ALLYL-PROP-2-YNYL-AMINE;CHEMBRDG-BB 4013089;CHEMBRDG-BB 7355693;N-PROP-2-YN-1-YLPROP-2-EN-1-AMINE;N-prop-2-yn-1-ylprop-2-en-1-amine(SALTDATA: 0.05H2O);N-prop-2-yn-1-ylprop-2-en-1-amine(SALTDATA: HCl)
• CAS NO: 42268-68-8
• Molecular Formula: C₆H₉N
• Molecular Weight: 95.14
• Mol File: 42268-68-8.mol
• Article Data: 10

Chemical Properties

• Boiling Point: 130.8°C at 760 mmHg
• Flash Point: 24.8°C
• Appearance: /
• Density: 0.825g/cm³
• Vapor Pressure: 9.53mmHg at 25°C
• Refractive Index: 1.45
• PKA: 7.14±0.10(Predicted)
• CAS DataBase Reference: ALLYL-PROP-2-YNYL-AMINE(CAS DataBase Reference)
• NIST Chemistry Reference: ALLYL-PROP-2-YNYL-AMINE(42268-68-8)
• EPA Substance Registry System: ALLYL-PROP-2-YNYL-AMINE(42268-68-8)

Safety Data

• Hazard Codes: Xn
• Statements: 22
• Hazardous Substances Data: 42268-68-8(Hazardous Substances Data)

Usage

InChI:InChI=1/C6H9N/c1-3-5-7-6-4-2/h1,4,7H,2,5-6H2

Upstream product

• 624-65-7 2-propynyl chloride 
• 107-11-9 1-amino-2-propene 
• 107-05-1 3-chloroprop-1-ene 
• 2450-71-7 Propargylamine 
• 106-96-7 propargyl bromide 

Downstream Products

• 119548-48-0 N-(prop-2-en-1-yl)-N-(prop-2-yn-1-yl)benzamide 
• 545434-37-5 (+/-)-1-allyl-2-(2-iodo)phenyl-4-methylene-pyrrolidine-3,3-dicarboxylic acid dimethyl ester 
• 863600-79-7 tert-butyl (cis-exo)-5-(benzylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate 
• 863600-81-1 tert-butyl (3aS,6aR)-5-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate 
• 1280666-00-3 tert-butyl (cis-exo)-5-benzyloxycarbonylamino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate 
• 1280666-02-5 benzyl (cis-exo)-N-[1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]carbamate 
• 1280666-04-7 benzyl (cis-exo)-N-[2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]carbamate 
• 1400696-64-1 N¹,N⁴-diallyl-N¹,N⁴-di(prop-2-yn-1-yl)terephthalamide 
• 1400696-68-5 (1,1'-biphenyl)-4,4'-diylbis[(3-vinyl-2, 5-dihydro-1H-pyrrol-1-yl)methanone] 
• 1400696-67-4 1,4-phenylenebis((3-vinyl-2,5-dihydro-1H-pyrrol-1-yl)methanone) 
• 146231-54-1 (3aR,6aS)-tert-butyl 5-oxohexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate 
• 138042-40-7 1-(3-Benzyl-3-aza-bicyclo[3.1.0]hex-1-yl)-propan-2-one 
• 148404-28-8 tert-butyl 5-oxohexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate 
• 148404-29-9 Benzyl 5-oxohexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate 

Relevant articles and documents

Chemoproteomics-Enabled De Novo Discovery of Photoswitchable Carboxylesterase Inhibitors for Optically Controlled Drug Metabolism

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A two-directional strategy for the diversity-oriented synthesis of macrocyclic scaffolds

Macrocyclic compounds represent a structural class with exceptional potential for biological activity; however, they have historically been underrepresented in screening collections and synthetic libraries. In this article we report the development of a highly step-efficient strategy for the diversity-oriented synthesis of complex macrocyclic architectures, using a modular approach based on the two-directional synthesis of bifunctional linear precursors and their subsequent combination in a two-directional macrocyclisation process. In this proof of principle study, the synthesis of 14 such compounds was achieved. Cheminformatic analysis of the compounds produced suggests that they reside in biologically relevant regions of chemical space and the compounds were screened for activity against two cancer cell lines.