(5-Chloro-2-hydroxyphenyl)(1-phenyl-1H-pyrazol-4-YL)methanone

Base Information

• Chemical Name: (5-Chloro-2-hydroxyphenyl)(1-phenyl-1H-pyrazol-4-YL)methanone
• CAS No.: 61466-46-4
• Molecular Formula: C16H11ClN2O2
• Molecular Weight: 298.729
• Hs Code.: 2933199090
• European Community (EC) Number: 820-303-9
• DSSTox Substance ID: DTXSID40350955
• Nikkaji Number: J1.032.944B
• Wikidata: Q82127022
• Mol file: 61466-46-4.mol

Synonyms:61466-46-4;(5-CHLORO-2-HYDROXYPHENYL)(1-PHENYL-1H-PYRAZOL-4-YL)METHANONE;(5-chloro-2-hydroxyphenyl)-(1-phenylpyrazol-4-yl)methanone;SCHEMBL1997356;DTXSID40350955;HEVRUKPQOSEFKD-UHFFFAOYSA-N;AKOS000275929;CS-0236122;AB00776816-01;EN300-1692459;4-chloro-2-(1-phenyl-1H-pyrazole-4-carbonyl)phenol;Z44425558;(2-hydroxy-5-chlorophenyl)-(1-phenyl-1H-pyrazol-4-yl)-methanone

Chemical Property of (5-Chloro-2-hydroxyphenyl)(1-phenyl-1H-pyrazol-4-YL)methanone

Chemical Property:

• Melting Point: 144-145 °C(Solv: ethanol (64-17-5))
• Boiling Point: 460.4±35.0 °C(Predicted)
• PKA: 6.94±0.43(Predicted)
• PSA: 55.12000
• Density: 1.33±0.1 g/cm3(Predicted)
• LogP: 3.46230
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 298.0509053
• Heavy Atom Count: 21
• Complexity: 373

Purity/Quality:

98%Min ^*data from raw suppliers

(5-Chloro-2-hydroxyphenyl)(1-phenyl-1H-pyrazol-4-yl)methanone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of (5-Chloro-2-hydroxyphenyl)(1-phenyl-1H-pyrazol-4-YL)methanone

There total 7 articles about (5-Chloro-2-hydroxyphenyl)(1-phenyl-1H-pyrazol-4-YL)methanone 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: 74.0%

phenylhydrazine hydrochloride (59-88-1) + 6-Chloro-4-oxo-4H-chromene-3-carbaldehyde oxime (72164-97-7) → (2-hydroxy-5-chlorophenyl)-(1-phenyl-1H-pyrazol-4-yl)methanone (61466-46-4)

Guidance literature:

In ethanol; for 15h; Heating;

Reference yield: 70.0%

6-chloro-3-(N,N-dimethylhydrazonomethyl)chromone (91546-68-8) + phenylhydrazine (100-63-0) → (2-hydroxy-5-chlorophenyl)-(1-phenyl-1H-pyrazol-4-yl)methanone (61466-46-4)

Guidance literature:

In ethanol; for 15h; Heating;

Reference yield: 67.0%

(E)-6-chloro-3-((2-phenylhydrazono)methyl)-4H-chromen-4-one → (2-hydroxy-5-chlorophenyl)-(1-phenyl-1H-pyrazol-4-yl)methanone (61466-46-4)

Guidance literature:

With potassium carbonate; In acetonitrile; for 12h; Reflux;

DOI:10.17344/acsi.2017.3453

upstream raw materials:

phenylhydrazine hydrochloride

6-Chloro-3-[1,3]dioxolan-2-yl-chromen-4-one

6-Chloro-4-oxo-4H-chromene-3-carbaldehyde oxime

6-chloro-3-(N,N-dimethylhydrazonomethyl)chromone

Downstream raw materials:

2-benzoyl-5-chloro-3-(1-phenyl-1H-pyrazol-4-yl)benzofuran

6-Chloro-3-(4-methoxy-phenyl)-4-(1-phenyl-1H-pyrazol-4-yl)-chromen-2-one

5-Chloro-3-(1-phenyl-1H-pyrazol-4-yl)-benzofuran-2-carboxylic acid

6-Chloro-3-phenyl-4-(1-phenyl-1H-pyrazol-4-yl)-chromen-2-one