4-[1,1'-Biphenyl]-4-yl-alpha-[(3-ethoxy-4-hydroxyphenyl)methylene]-2-thiazoleacetonitrile

Base Information

• Chemical Name: 4-[1,1'-Biphenyl]-4-yl-alpha-[(3-ethoxy-4-hydroxyphenyl)methylene]-2-thiazoleacetonitrile
• CAS No.: 332175-36-7
• Molecular Formula: C₂₆H₂₀N₂O₂S
• Molecular Weight: 424.523
• DSSTox Substance ID: DTXSID301127391
• Mol file: 332175-36-7.mol

Synonyms:DTXSID301127391;4-[1,1'-Biphenyl]-4-yl-alpha-[(3-ethoxy-4-hydroxyphenyl)methylene]-2-thiazoleacetonitrile;332175-36-7

Chemical Property of 4-[1,1'-Biphenyl]-4-yl-alpha-[(3-ethoxy-4-hydroxyphenyl)methylene]-2-thiazoleacetonitrile

Chemical Property:

• Melting Point: 199-201 °C(Solv: 1-butanol (71-36-3))
• Boiling Point: 658.6±65.0 °C(Predicted)
• PKA: 9.22±0.35(Predicted)
• Density: 1?+-.0.06 g/cm3(Predicted)
• XLogP3: 6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 424.12454906
• Heavy Atom Count: 31
• Complexity: 645

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC1=C(C=CC(=C1)C=C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)C4=CC=CC=C4)O

Technology Process of 4-[1,1'-Biphenyl]-4-yl-alpha-[(3-ethoxy-4-hydroxyphenyl)methylene]-2-thiazoleacetonitrile

There total 1 articles about 4-[1,1'-Biphenyl]-4-yl-alpha-[(3-ethoxy-4-hydroxyphenyl)methylene]-2-thiazoleacetonitrile 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: 68.0%

2,6-diamino-4-(4-hydroxy-3-ethoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile + 2-Bromo-4'-phenylacetophenone (135-73-9) → 2-[4-(4-biphenyl)-thiazol-2-yl]-3-(4-hydroxy-3-ethoxyphenyl)acrylonitrile (332175-36-7)

Guidance literature:

With 4-methyl-morpholine; In butan-1-ol; for 51h;

DOI:10.1134/S1070428006050137

upstream raw materials:

2-Bromo-4'-phenylacetophenone

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