Tyrphostin B56

Base Information

• Chemical Name: Tyrphostin B56
• CAS No.: 149092-35-3
• Molecular Formula: C₂₀H₂₀N₂O₃
• Molecular Weight: 336.39
• Nikkaji Number: J1.175.366C,J412.919I
• NCI Thesaurus Code: C1780
• ChEMBL ID: CHEMBL440298
• Mol file: 149092-35-3.mol

Synonyms:2-cyano-3-(3,4-dihydroxyphenyl)-N-(4-phenylbutyl)-2-propenamide;AG 556;AG-556;AG556;alpha-cyano-(3,4-dihydroxy)-N-(4-phenylbutyl)cinnamide;N-(4-phenylbutyl)-3,4-dihydroxybenzylidene cyanoacetamide;tyrphostin AG556;tyrphostin B56

Chemical Property of Tyrphostin B56

Chemical Property:

• Boiling Point: 636.1°Cat760mmHg
• PKA: 8.90±0.35(Predicted)
• Flash Point: 338.5°C
• PSA: 96.84000
• Density: 1.247g/cm³
• LogP: 3.98418
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 336.14739250
• Heavy Atom Count: 25
• Complexity: 502

Purity/Quality:

99% ^*data from raw suppliers

TYRPHOSTIN B-56 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CCCCNC(=O)C(=CC2=CC(=C(C=C2)O)O)C#N
• Isomeric SMILES: C1=CC=C(C=C1)CCCCNC(=O)/C(=C/C2=CC(=C(C=C2)O)O)/C#N

Technology Process of Tyrphostin B56

There total 2 articles about Tyrphostin B56 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: 60.0%

N-(4-phenylbutyl)cyanoacetamide (133550-40-0) + 3,4-dihydroxybenzaldehyde (139-85-5) → tyrphostin AG 556 (149092-35-3,133550-41-1)

Guidance literature:

DOI:10.1021/jm00110a022

Reference yield:

4-phenyl-1-butylamine (13214-66-9) → tyrphostin AG 556 (149092-35-3,133550-41-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 51 percent / 16 h / 100 °C

2: 60 percent

DOI:10.1021/jm00110a022

upstream raw materials:

N-(4-phenylbutyl)cyanoacetamide

3,4-dihydroxybenzaldehyde

4-phenyl-1-butylamine

Refernces