1-phenyl-1H-pyrazol-5-ol

Base Information

• Chemical Name: 1-phenyl-1H-pyrazol-5-ol
• CAS No.: 876-93-7
• Molecular Formula: C9H8N2O
• Molecular Weight: 160.175
• European Community (EC) Number: 862-794-2
• Nikkaji Number: J81.401F,J2.074.948B
• Mol file: 876-93-7.mol

Synonyms:1-phenyl-1H-pyrazol-5-ol;876-93-7;2-phenyl-1H-pyrazol-3(2H)-one;7456-81-7;2-phenyl-1H-pyrazol-3-one;1,2-Dihydro-2-phenyl-3H-pyrazol-3-one;1-phenylpyrazol-5-one;1-phenyl-5-hydroxypyrazole;1-Phenyl-1H-pyrazole-5-ol;1-phenyl-3-pyrazolin-5-one;SCHEMBL1232067;SCHEMBL5579308;ILPGQKHPPSSCBS-UHFFFAOYSA-N;AMY11894;MFCD00462229;STK328127;AKOS003726171;AKOS022172045;DS-6772;2-Phenyl-1,2-dihydro-3H-pyrazol-3-one;CS-0186361;FT-0727129;EN300-137972;F17316;A865864;A916122

Chemical Property of 1-phenyl-1H-pyrazol-5-ol

Chemical Property:

• PSA: 38.05000
• LogP: 1.57790
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 160.063662883
• Heavy Atom Count: 12
• Complexity: 207

Purity/Quality:

97% ^*data from raw suppliers

1-Phenyl-1H-pyrazol-5-ol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N2C(=O)C=CN2

Technology Process of 1-phenyl-1H-pyrazol-5-ol

There total 2 articles about 1-phenyl-1H-pyrazol-5-ol 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: 85.7%

methyl 3-methoxyprop-2-enoate (34846-90-7) + phenylhydrazine (100-63-0) → 1-phenyl-5-hydroxypyrazole (876-93-7)

Guidance literature:

In methanol; for 6h; Reflux;

Reference yield:

→ 1-phenyl-5-hydroxypyrazole (876-93-7)

Guidance literature:

Reference yield: 87.0%

fluoroiodomethane (373-53-5) + 1-phenyl-5-hydroxypyrazole (876-93-7) → 5-(fluoromethoxy)-1-phenyl-1H-pyrazole

Guidance literature:

With caesium carbonate; In acetonitrile; at 20 ℃; for 6h; chemoselective reaction;

DOI:10.1021/acs.orglett.9b04654

upstream raw materials:

methyl 3-methoxyprop-2-enoate

phenylhydrazine

Downstream raw materials:

1-(5-hydroxy-1-phenyl-1H-pyrazol-4-yl)ethan-1-one

(E)-1-(5-hydroxy-1-phenyl-(1H)-pyrazole-4-yl)-3-phenylprop-2-ene-1-one

(5-hydroxy-1-phenyl-1H-pyrazol-4-yl)(2-thienyl)methanone

(5-hydroxy-1-phenyl-1H-pyrazol-4-yl)(phenyl)methanone