(Z)-3-(3,4-Dimethoxy-phenyl)-2-pyridin-3-yl-acrylonitrile

Base Information

• Chemical Name: (Z)-3-(3,4-Dimethoxy-phenyl)-2-pyridin-3-yl-acrylonitrile
• CAS No.: 136831-48-6
• Molecular Formula: C₁₆H₁₄N₂O₂
• Molecular Weight: 266.299
• NSC Number: 666257
• ChEMBL ID: CHEMBL67027
• Mol file: 136831-48-6.mol

Synonyms:RG 13022;RG-13022

Chemical Property of (Z)-3-(3,4-Dimethoxy-phenyl)-2-pyridin-3-yl-acrylonitrile

Chemical Property:

• Vapor Pressure: 2.18E-07mmHg at 25°C
• Melting Point: 116.0 to 120.0 °C
• Boiling Point: 423.8°Cat760mmHg
• Flash Point: 210.1°C
• PSA: 55.14000
• Density: 1.172g/cm³
• LogP: 3.16298
• Storage Temp.: −20°C
• Solubility.: DMSO or ethanol: soluble
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 266.105527694
• Heavy Atom Count: 20
• Complexity: 385

Purity/Quality:

97% ^*data from raw suppliers

3-(3,4-Dimethoxyphenyl)-2-(pyridin-3-yl)acrylonitrile 98% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C=C(C#N)C2=CN=CC=C2)OC
• Isomeric SMILES: COC1=C(C=C(C=C1)/C=C(\C#N)/C2=CN=CC=C2)OC
• Uses: RG-13022 is an epidermal growth factor (EGF) inhibitor and PDGF receptor tyrosine kinases.

Technology Process of (Z)-3-(3,4-Dimethoxy-phenyl)-2-pyridin-3-yl-acrylonitrile

There total 2 articles about (Z)-3-(3,4-Dimethoxy-phenyl)-2-pyridin-3-yl-acrylonitrile which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

3-pyridinylacetonitrile (6443-85-2) + 3,4-dimethoxy-benzaldehyde (120-14-9) → RG 13022 (136831-48-6)

Guidance literature:

With piperidine; In ethanol; Heating;

DOI:10.1016/j.ejmech.2010.01.040

Reference yield:

→ RG 13022 (136831-48-6)

Guidance literature:

With lithium hydroxide; In ethanol; at 20 ℃; for 0.166667h;

In ethanol;

upstream raw materials:

3-pyridinylacetonitrile

3,4-dimethoxy-benzaldehyde