66417-79-6

Basic information

• Product Name: methyl (2E)-3-(isoquinolin-4-yl)prop-2-enoate
• Synonyms: 2-Propenoic acid, 3-(4-isoquinolinyl)-, methyl ester, (2E)-
• CAS NO: 66417-79-6
• Molecular Formula: C₁₃H₁₁NO₂
• Molecular Weight: 213.2319
• Mol File: 66417-79-6.mol
• Article Data: 2

Chemical Properties

• Melting Point: 79-80 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3))
• Boiling Point: 377.3°C at 760 mmHg
• Flash Point: 182°C
• Density: 1.199g/cm³
• Vapor Pressure: 6.81E-06mmHg at 25°C
• Refractive Index: 1.645
• PKA: 4.41±0.10(Predicted)
• CAS DataBase Reference: methyl (2E)-3-(isoquinolin-4-yl)prop-2-enoate(CAS DataBase Reference)
• NIST Chemistry Reference: methyl (2E)-3-(isoquinolin-4-yl)prop-2-enoate(66417-79-6)
• EPA Substance Registry System: methyl (2E)-3-(isoquinolin-4-yl)prop-2-enoate(66417-79-6)

Safety Data

• Hazardous Substances Data: 66417-79-6(Hazardous Substances Data)

Upstream product

• 1532-97-4 4-bromoisoquinoline 
• 292638-85-8 acrylic acid methyl ester 
• 6163-58-2 tris-(o-tolyl)phosphine 

Relevant articles and documents

A preparative route to methyl 3-(heteroaryl)acrylates using Heck methodology

Methyl 3-(heteroaryl)acrylates were prepared using Heck coupling of heteroarene halides with methyl acrylate mediated by Pd(OAc)2/ P(OCH3)3. Reactions were highly efficient (reaction times between 60 and 120 min) and scalable to 100 g of heteroarene halide. The isolated yields are from 76 to 99%.