1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbohydrazide

Base Information

• Chemical Name: 1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbohydrazide
• CAS No.: 175137-32-3
• Molecular Formula: C₁₁H₉F₃N₄O
• Molecular Weight: 270.214
• Hs Code.: 2933199090
• European Community (EC) Number: 651-038-5
• DSSTox Substance ID: DTXSID50380086
• Wikidata: Q82170135
• ChEMBL ID: CHEMBL1539203
• Mol file: 175137-32-3.mol

Synonyms:1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbohydrazide;175137-32-3;1-phenyl-5-(trifluoromethyl)pyrazole-4-carbohydrazide;1-Phenyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid hydrazide;Maybridge1_003750;MLS000720515;CHEMBL1539203;HMS552C10;DTXSID50380086;HHPIIZJILLCOBV-UHFFFAOYSA-N;HMS2717G04;MFCD00068152;AKOS015991945;CCG-240013;SB86070;SMR000336029;CS-0320813;FT-0608247;A811787;11R-1130

Chemical Property of 1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbohydrazide

Chemical Property:

• Vapor Pressure: 2.87E-10mmHg at 25°C
• Melting Point: 153-155°C
• Refractive Index: 1.595
• Boiling Point: 503.6°Cat760mmHg
• PKA: 11.02±0.10(Predicted)
• Flash Point: 258.3°C
• PSA: 72.94000
• Density: 1.53g/cm³
• LogP: 2.58580
• Storage Temp.: 2-8°C
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 270.07284541
• Heavy Atom Count: 19
• Complexity: 330

Purity/Quality:

97% ^*data from raw suppliers

1-Phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbohydrazide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NN)C(F)(F)F

Technology Process of 1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbohydrazide

There total 4 articles about 1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbohydrazide 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: 94.0%

ethyl 1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate (112055-34-2) → 1-phenyl-5-trifluoromethyl-1H-4-pyrazol hydrazide (175137-32-3)

Guidance literature:

With hydrazine hydrate; Reflux;

DOI:10.1016/j.cclet.2016.06.055

Reference yield:

ethyl 2-(ethoxymethylidene)-4,4,4-trifluoro-3-oxobutanoate (571-55-1) → 1-phenyl-5-trifluoromethyl-1H-4-pyrazol hydrazide (175137-32-3)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol / Reflux

2: hydrazine hydrate / Reflux

With hydrazine hydrate; In ethanol;

DOI:10.1016/j.cclet.2016.06.055

Reference yield:

phenylhydrazine (100-63-0) → 1-phenyl-5-trifluoromethyl-1H-4-pyrazol hydrazide (175137-32-3)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol / 24 h / 80 °C

2: hydrazine hydrate / ethanol / 2 h / Reflux

With hydrazine hydrate; In ethanol;

upstream raw materials:

ethyl 2-(ethoxymethylidene)-4,4,4-trifluoro-3-oxobutanoate

ethyl 1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate

phenylhydrazine

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