98750-87-9

Basic information

• Product Name: 3-amino-2-(4-pentynyl)-4(3H)-quinazolinone
• Synonyms: 3-amino-2-(4-pentynyl)-4(3H)-quinazolinone
• CAS NO: 98750-87-9
• Molecular Formula: C13H13N3O
• Molecular Weight: 227.26182
• Mol File: 98750-87-9.mol
• Article Data: 1

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 3-amino-2-(4-pentynyl)-4(3H)-quinazolinone(CAS DataBase Reference)
• NIST Chemistry Reference: 3-amino-2-(4-pentynyl)-4(3H)-quinazolinone(98750-87-9)
• EPA Substance Registry System: 3-amino-2-(4-pentynyl)-4(3H)-quinazolinone(98750-87-9)

Safety Data

• Hazardous Substances Data: 98750-87-9(Hazardous Substances Data)

Upstream product

• 55183-45-4 hex-5-in-carboxyl chloride 
• 53293-00-8 hex-5-ynoic acid 
• 14918-21-9 5-hexynonitrile 
• 107428-14-8 methyl N-(hex-5-ynoyl)anthranilate 

Relevant articles and documents

Intramolecular Reactions of N-Nitrenes with Alkynes: Conformational Anchoring in Spiro-fused 2H-Azirines

Oxidations of N-aminoquinazolin-4(3H)-ones (7)-(11) with lead tetra-acetate in dichloromethane results in the intramolecular addition of the N-nitrene to the triple bond in each case and azirines (20), (22), (17), (23), and (30), respectively, are isolated with (31) identified as a by-product in the oxidation of compound (11).An X-ray crystal structure determination on compound (17) reveals a remarkable deformation of bond angles at the spiro centre and this feature appears to be common to all azirines.The five membered ring in the azirines (17), (20), (22), and (23) has the envelope conformation (26) and the six-membered ring in the azirine (30) has the twist-boat conformation (32): a possible explanation for this conformational anchoring is offered.