83823-18-1

Basic information

• Product Name: N-butyl-2H-chromene-3-carboxamide
• CAS NO: 83823-18-1
• Molecular Formula: C₁₄H₁₇NO₂
• Molecular Weight: 231.2903
• Mol File: 83823-18-1.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 434.6°C at 760 mmHg
• Flash Point: 216.6°C
• Density: 1.111g/cm³
• Vapor Pressure: 9.35E-08mmHg at 25°C
• Refractive Index: 1.55
• CAS DataBase Reference: N-butyl-2H-chromene-3-carboxamide(CAS DataBase Reference)
• NIST Chemistry Reference: N-butyl-2H-chromene-3-carboxamide(83823-18-1)
• EPA Substance Registry System: N-butyl-2H-chromene-3-carboxamide(83823-18-1)

Safety Data

• Hazardous Substances Data: 83823-18-1(Hazardous Substances Data)

Upstream product

• 41873-72-7 chlorure d'acide chromene carboxylique-3 
• 109-73-9 N-butylamine 
• 57543-66-5 2H-chromene-3-carbonitrile 
• 10185-00-9 Chromene-3-carboxamide 
• 22649-28-1 2H-chromene-3-carboxylic acid 
• 90-02-8 salicylaldehyde 

Relevant articles and documents

Ruthenium-Catalyzed Oxidative Annulation and Hydroarylation of Chromene-3-carboxamides with Alkynes via Double C-H Functionalization

Ruthenium-catalyzed oxidative annulation of 2H-chromene-3-carboxamides with alkynes has been achieved by using the directing group nature of amide in the presence of Cu(OAc)2·H2O as an oxidant and AgNTf2 as an additive. This reaction offers a broad substrate scope, and both symmetrical and unsymmetrical alkynes can be harnessed. High regioselectivity was achieved in the case of unsymmetrical alkynes. In addition, we have also accomplished double C-H activation by employing an excess of alkyne, where both annulation and hydroarylation took place regio- and stereoselectively in one pot, with the catalyst playing a dual role. While the first C-H functionalization could involve Ru-N covalent bond, the second C-H functionalization most likely involves Ru-O coordinate bond. The structures of key products are confirmed by X-ray crystallography.