(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methanol

Base Information

• Chemical Name: (3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methanol
• CAS No.: 58789-53-0
• Molecular Formula: C₁₂H₁₄N₂O
• Molecular Weight: 202.256
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID10368880
• Wikidata: Q82155752
• Mol file: 58789-53-0.mol

Synonyms:(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methanol;58789-53-0;(3,5-dimethyl-1-phenylpyrazol-4-yl)methanol;SCHEMBL11250227;DTXSID10368880;MFCD06202725;AKOS001075345;AS-9242;CS-0119923;FT-0737891;EN300-12270;Z85921034

Chemical Property of (3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methanol

Chemical Property:

• Vapor Pressure: 8.58E-06mmHg at 25°C
• Melting Point: 106 °C
• Boiling Point: 359.4°Cat760mmHg
• PKA: 14.07±0.10(Predicted)
• Flash Point: 171.2°C
• PSA: 38.05000
• Density: 1.12g/cm³
• LogP: 1.98140
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 202.110613074
• Heavy Atom Count: 15
• Complexity: 204

Purity/Quality:

99%, ^*data from raw suppliers

(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)methanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methanol

There total 2 articles about (3,5-dimethyl-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:

3,5-dimethyl-1-phenyl-4-(chloromethyl)-1H-pyrazole (1152595-49-7) → 1-Phenyl-4-hydroxymethyl-3,5-dimethyl-pyrazol (58789-53-0)

Guidance literature:

With water;

DOI:10.1134/S1070363212090320

Reference yield:

→ 1-Phenyl-4-hydroxymethyl-3,5-dimethyl-pyrazol (58789-53-0)

Guidance literature:

Neben Bis-<1-Phenyl-3,5-dimethyl-pyrazolyl-(4)>-methan beim Erhitzen von 1-Phenyl-3,5-dimethyl-pyrazol mit Paraformaldehyd und konz. HCl auf Siedetemp. und gleichzeitigem Einleiten von HCl-Gas;

Reference yield:

1-Phenyl-4-hydroxymethyl-3,5-dimethyl-pyrazol (58789-53-0) → oxydimethanediylbis(3,5-dimethyl-1-phenyl-1H-pyrazole)

Guidance literature:

Heating;

DOI:10.1134/S1070363212090320

upstream raw materials:

3,5-dimethyl-1-phenyl-4-(chloromethyl)-1H-pyrazole

Downstream raw materials:

1,1-bis(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methane

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