Phenol, 2-[4,5-dihydro-5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-

Base Information

• Chemical Name: Phenol, 2-[4,5-dihydro-5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-
• CAS No.: 55370-75-7
• Molecular Formula: C16H16N2O2
• Molecular Weight: 268.315
• DSSTox Substance ID: DTXSID30425500
• Nikkaji Number: J1.110.297B
• ChEMBL ID: CHEMBL5080272

Synonyms:2-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol;55370-75-7;Phenol, 2-[4,5-dihydro-5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-;CBMicro_015430;CHEMBL5080272;DTXSID30425500;STK864562;AKOS000662759;CCG-108299;BIM-0015643.P001;SR-01000455058;2-[5-(4-Methoxyphenyl)-2-pyrazoline-3-yl]phenol;SR-01000455058-1

Chemical Property of Phenol, 2-[4,5-dihydro-5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-

Chemical Property:

• Melting Point: 134-136 °C(Solv: ethanol (64-17-5))
• Boiling Point: 444.2±55.0 °C(Predicted)
• PSA: 50.36000
• Density: 1.23±0.1 g/cm3(Predicted)
• LogP: 2.84100
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 268.121177757
• Heavy Atom Count: 20
• Complexity: 350

Purity/Quality:

2-[5-(4-METHOXYPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-3-YL]PHENOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2CC(=NN2)C3=CC=CC=C3O

Technology Process of Phenol, 2-[4,5-dihydro-5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-

There total 8 articles about Phenol, 2-[4,5-dihydro-5-(4-methoxyphenyl)-1H-pyrazol-3-yl]- 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: 95.6%

1-(2-hydroxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one (3327-24-0) → 3-(2-hydroxyphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole (55370-75-7)

Guidance literature:

With hydrazine hydrate; In ethanol; for 3h; Heating;

Reference yield: 80.0%

[E]-3-(p-methoxyphenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one (34000-29-8) → 3-(2-hydroxyphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole (55370-75-7)

Guidance literature:

With triethanolamine; hydrazine hydrate; for 0.25h; Heating;

Reference yield: 75.9%

2-hydroxy-4'-methoxychalcone (58721-41-8,99618-46-9,6607-92-7) → 3-(2-hydroxyphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole (55370-75-7)

Guidance literature:

With hydrazine hydrate; In ethanol; for 0.0305556h; Microwave irradiation;

DOI:10.1007/s11094-017-1655-7

upstream raw materials:

1-(2-hydroxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one

[E]-3-(p-methoxyphenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one

o-hydroxyacetophenone

4-methoxy-benzaldehyde

Downstream raw materials:

Acetic acid 2-[1-acetyl-5-(4-methoxy-phenyl)-4,5-dihydro-1H-pyrazol-3-yl]-phenyl ester

C₁₈H₁₇ClN₂O₃

Ethyl 3-(2-hydroxyphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole-1-carboxylate

phenyl 3-(2-hydroxyphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole-1-carboxylate

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