4-[2-(2,4-Difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propoxy]benzaldehyde

Base Information

• Chemical Name: 4-[2-(2,4-Difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propoxy]benzaldehyde
• CAS No.: 1330676-37-3
• Molecular Formula: C₁₈H₁₅F₂N₃O₃
• Molecular Weight: 359.332
• DSSTox Substance ID: DTXSID901132833
• ChEMBL ID: CHEMBL1818486

Synonyms:CHEMBL1818486;SCHEMBL15380175;DTXSID901132833;4-[2-(2,4-Difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propoxy]benzaldehyde;4-[2-(2,4-Difluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propoxy]benzaldehyde;1330676-37-3

Chemical Property of 4-[2-(2,4-Difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propoxy]benzaldehyde

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 359.10814767
• Heavy Atom Count: 26
• Complexity: 465

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=O)OCC(CN2C=NC=N2)(C3=C(C=C(C=C3)F)F)O

Technology Process of 4-[2-(2,4-Difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propoxy]benzaldehyde

There total 1 articles about 4-[2-(2,4-Difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propoxy]benzaldehyde 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: 73.0%

1-[2-(2,4-difluorophenyl)-2,3-epoxypropyl]-1H-1,2,4-triazole (86386-76-7,123632-22-4,141113-42-0,150024-48-9) + 4-hydroxy-benzaldehyde (123-08-0,65581-83-1) → 4-(2-(2,4-difluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propoxy)benzaldehyde (1330676-37-3)

Guidance literature:

With tetrabutylammomium bromide; potassium carbonate; In ethyl acetate; at 80 ℃; for 12h; Inert atmosphere;

DOI:10.1016/j.bmcl.2011.06.022

Reference yield: 96.0%

2-thioxo-4-thiazolidinone (141-84-4) + 4-(2-(2,4-difluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propoxy)benzaldehyde (1330676-37-3) → 5-(4-(2-(2,4-difluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propoxy)benzylidene)-2-thioxothiazolidin-4-one (1330676-80-6)

Guidance literature:

With sodium acetate; In acetic acid; at 85 ℃; for 2h; Inert atmosphere;

DOI:10.1016/j.bmcl.2011.06.022

Reference yield: 95.0%

Hippuric Acid (495-69-2,140480-84-8,21251-67-2,91787-63-2,66407-11-2) + 4-(2-(2,4-difluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propoxy)benzaldehyde (1330676-37-3) → 4-(4-(2-(2,4-difluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propoxy)benzylidene)-2-phenyloxazol-5(4H)-one (1330676-45-3)

Guidance literature:

With sodium acetate; acetic anhydride; at 85 ℃; for 2h; Inert atmosphere;

DOI:10.1016/j.bmcl.2011.06.022

upstream raw materials:

1-[2-(2,4-difluorophenyl)-2,3-epoxypropyl]-1H-1,2,4-triazole

4-hydroxy-benzaldehyde

Downstream raw materials:

4-(4-(2-(2,4-difluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propoxy)benzylidene)-2-phenyloxazol-5(4H)-one

5-(4-(2-(2,4-difluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propoxy)benzylidene)-2-thioxothiazolidin-4-one

5-(4-(2-(2,4-difluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propoxy)benzylidene)-3-(4-chlorophenyl)-4-(2,4-difluorophenyl)furan-2(5H)-one

5-(4-(2-(2,4-difluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propoxy)benzylidene)-3-(3,4-dichlorophenyl)-4-(2,4-difluorophenyl)furan-2(5H)-on

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