(5-Methyl-1-Phenyl-1H-Pyrazol-4-Yl)Methanol

Base Information

• Chemical Name: (5-Methyl-1-Phenyl-1H-Pyrazol-4-Yl)Methanol
• CAS No.: 153863-35-5
• Molecular Formula: C11H12 N2 O
• Molecular Weight: 188.229
• Hs Code.: 29331990
• DSSTox Substance ID: DTXSID20380078
• Wikidata: Q82170117
• ChEMBL ID: CHEMBL4208586
• Mol file: 153863-35-5.mol

Synonyms:(5-Methyl-1-Phenyl-1H-Pyrazol-4-Yl)Methanol;153863-35-5;(5-methyl-1-phenylpyrazol-4-yl)methanol;(5-Methyl-1-phenyl-1H-pyrazol-4-yl)-methanol;1H-Pyrazole-4-methanol,5-methyl-1-phenyl-;1-Phenyl-5-methyl-pyrazole-4-methanol;SCHEMBL1568047;CHEMBL4208586;DTXSID20380078;JTNWKZVHKLAHTN-UHFFFAOYSA-N;MFCD02682046;AKOS006227827;PS-4282;SDCCGMLS-0065987.P001;CS-0447217;FT-0604820;1-Phenyl-5-methyl-pyrazole-4-methanol, AldrichCPR;W-205751

Chemical Property of (5-Methyl-1-Phenyl-1H-Pyrazol-4-Yl)Methanol

Chemical Property:

• Vapor Pressure: 2.25E-05mmHg at 25°C
• Melting Point: 88℃
• Boiling Point: 346°Cat760mmHg
• Flash Point: 163.1°C
• PSA: 38.05000
• Density: 1.14g/cm³
• LogP: 1.67300
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 188.094963011
• Heavy Atom Count: 14
• Complexity: 180

Purity/Quality:

98%min ^*data from raw suppliers

(5-Methyl-1-phenyl-1H-pyrazol-4-yl)methanol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=NN1C2=CC=CC=C2)CO

Technology Process of (5-Methyl-1-Phenyl-1H-Pyrazol-4-Yl)Methanol

There total 4 articles about (5-Methyl-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: 100.0%

ethyl 5-methyl-1-phenyl-1H-pyrazole-4-carboxylate (89193-16-8) → (5-methyl-1-phenyl-1H-pyrazol-4-yl)methanol (153863-35-5)

Guidance literature:

ethyl 5-methyl-1-phenyl-1H-pyrazole-4-carboxylate; With diisobutylaluminium hydride; In diethyl ether; hexane; at -75 - 70 ℃; for 3.16667h;

With hydrogenchloride; In methanol; diethyl ether; hexane; water; at 20 ℃; for 0.333333h;

Reference yield:

methyl 5-methyl-1-phenyl-1H-pyrazole-4-carboxylate (7189-01-7) → (5-methyl-1-phenyl-1H-pyrazol-4-yl)methanol (153863-35-5)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 20 ℃; for 2h;

Reference yield:

phenylhydrazine hydrochloride (59-88-1) → (5-methyl-1-phenyl-1H-pyrazol-4-yl)methanol (153863-35-5)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 2 h / 120 °C

1.2: 2.5 h / 80 °C

2.1: lithium aluminium tetrahydride / tetrahydrofuran / 1.5 h / 20 °C / Cooling with ice

With lithium aluminium tetrahydride; In tetrahydrofuran;

upstream raw materials:

ethyl 5-methyl-1-phenyl-1H-pyrazole-4-carboxylate

phenylhydrazine hydrochloride

phenylhydrazine

methyl 5-methyl-1-phenyl-1H-pyrazole-4-carboxylate

Downstream raw materials:

C₁₃H₁₃FN₂O₂

ethyl 2-fluoro-3-(5-methyl-1-phenylpyrazol-4-yl)acrylate

Ethyl 2-fluoro-3-(5-methyl-1-phenylpyrazol-4-yl)propionate

4,5-dimethyl-1-phenyl-1H-pyrazole-3-carbonitrile

Refernces

• 1、 -. "NITROGEN-CONTAINING AROMATIC HETEROCYCLYL COMPOUND". Page/Page column 73-74. . Retrieved 2011/04/25.
• 2、 -. "NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME". Page/Page column 33-34. . Retrieved 2010/02/11.