1430403-83-0

Basic information

• Product Name: 2,5-dimethoxy-1,4-bis(1-propynyl)benzene
• CAS NO: 1430403-83-0
• Molecular Weight: 214.264
• Mol File: 1430403-83-0.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 2,5-dimethoxy-1,4-bis(1-propynyl)benzene(CAS DataBase Reference)
• NIST Chemistry Reference: 2,5-dimethoxy-1,4-bis(1-propynyl)benzene(1430403-83-0)
• EPA Substance Registry System: 2,5-dimethoxy-1,4-bis(1-propynyl)benzene(1430403-83-0)

Safety Data

• Hazardous Substances Data: 1430403-83-0(Hazardous Substances Data)

Upstream product

• 74029-40-6 1,4-diethynyl-2,5-bis(methoxyl)benzene 
• 74-88-4 methyl iodide 

Relevant articles and documents

Encapsulation-induced remarkable stability of a hydrogen-bonded heterocapsule

Remarkably enhanced stability of the self-assembled hydrogen-bonded heterocapsule 1×2 by the encapsulation of 1,4-bis(1-propynyl)benzene 3 a was found with Ka=1.14×109 M-1 in CDCl3 and Ka2=1.59×108 M-2 in CD3OD/CDCl3 (10 % v/v) at 298 K. The formation of 3 a(1×2) was enthalpically driven (ΔH°0 and ΔS°0) and there was a unique inflection point in the correlation between ΔH° versus ΔS° as a function of polar solvent content. The ab initio calculations revealed that favorable guest-capsule dispersion and electrostatic interactions between the acetylenic parts (triple bonds) of 3 a and the aromatic inner space of 1×2, as well as less structural deformation of 1×2 upon encapsulation of 3 a, play important roles in the remarkable stability of 3 a(1×2). Copyright