(3-(2,4-Dichlorophenyl)-1-phenyl-1H-pyrazol-4-YL)methanol

Base Information

• Chemical Name: (3-(2,4-Dichlorophenyl)-1-phenyl-1H-pyrazol-4-YL)methanol
• CAS No.: 618444-45-4
• Molecular Formula: C₁₆H₁₂Cl₂N₂O
• Molecular Weight: 319.19
• European Community (EC) Number: 645-293-1
• ChEMBL ID: CHEMBL4209996
• Mol file: 618444-45-4.mol

Synonyms:(3-(2,4-DICHLOROPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL)METHANOL;618444-45-4;[3-(2,4-dichlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methanol;CHEMBL4209996;AKOS024416501

Chemical Property of (3-(2,4-Dichlorophenyl)-1-phenyl-1H-pyrazol-4-YL)methanol

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 318.0326684
• Heavy Atom Count: 21
• Complexity: 338

Purity/Quality:

99% ^*data from raw suppliers

(3-(2,4-DICHLOROPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL)METHANOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N2C=C(C(=N2)C3=C(C=C(C=C3)Cl)Cl)CO

Technology Process of (3-(2,4-Dichlorophenyl)-1-phenyl-1H-pyrazol-4-YL)methanol

There total 1 articles about (3-(2,4-Dichlorophenyl)-1-phenyl-1H-pyrazol-4-YL)methanol 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:

phenylhydrazine hydrochloride (59-88-1) → (3-(2,4-dichlorophenyl)-1-phenyl-1H-pyrazol-4-yl)methanol (618444-45-4)

Guidance literature:

Multi-step reaction with 3 steps

1: acetic acid / methanol / 1 h / 20 °C

2: trichlorophosphate / ethanol / 5 h / 0 - 60 °C

3: sodium tetrahydroborate / methanol / 1 h / 0 - 20 °C

With sodium tetrahydroborate; acetic acid; trichlorophosphate; In methanol; ethanol; 2: |Vilsmeier-Haack Formylation;

DOI:10.1016/j.bmc.2017.08.042

Reference yield:

(3-(2,4-dichlorophenyl)-1-phenyl-1H-pyrazol-4-yl)methanol (618444-45-4) → (1-((3-(2,4-dichlorophenyl)-1-phenyl-1H-pyrazol-4-yl)methyl)-1H-1,2,3-triazol-4-yl)methanol

Guidance literature:

Multi-step reaction with 2 steps

1: 1,8-diazabicyclo[5.4.0]undec-7-ene; diphenyl phosphoryl azide / toluene / 3 h / 20 °C

2: copper(ll) sulfate pentahydrate; sodium L-ascorbate / tert-butyl alcohol; water / 20 °C

With copper(ll) sulfate pentahydrate; diphenyl phosphoryl azide; 1,8-diazabicyclo[5.4.0]undec-7-ene; sodium L-ascorbate; In water; toluene; tert-butyl alcohol;

DOI:10.1016/j.bmc.2017.08.042

upstream raw materials:

phenylhydrazine hydrochloride