3-[3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-propanol

Base Information

• Chemical Name: 3-[3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-propanol
• CAS No.: 169213-78-9
• Molecular Formula: C₇H₉F₃N₂O
• Molecular Weight: 194.156
• Hs Code.: 2933119000
• DSSTox Substance ID: DTXSID00376994
• Nikkaji Number: J782.157C
• Wikidata: Q82165990
• Mol file: 169213-78-9.mol

Synonyms:169213-78-9;3-[3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-propanol;3-(3-(Trifluoromethyl)-1H-pyrazol-4-yl)propan-1-ol;3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-ol;3-[3-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-ol;3-(3-TRIFLUOROMETHYL-1H-PYRAZOL-4-YL)-PROPAN-1-OL;3-[3-(Trifluoromethyl)-4-pyrazolyl]-1-propanol;MFCD00794530;Bionet2_000730;SCHEMBL5277088;SCHEMBL15012231;DTXSID00376994;HMS1366B04;AKOS001428770;CS-0080404;EN300-28899;1M-732;D74173;3-(3-Trifluoromethyl-1H-pyrazol-4-yl)-1-propanol;J-510555;4-(3-Hydroxy-1-propyl)-3-(trifluoromethyl)pyrazole;Z235362697;4-(3-Hydroxyprop-1-yl)-3-(trifluoromethyl)-1H-pyrazole;3-[3-(Trifluoromethyl)-1H-pyrazol-4-yl]-1-propanol, AldrichCPR

Chemical Property of 3-[3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-propanol

Chemical Property:

• Melting Point: 79-81°
• Boiling Point: 299.2±35.0 °C(Predicted)
• PKA: 11.20±0.50(Predicted)
• PSA: 48.91000
• Density: 1.373±0.06 g/cm3(Predicted)
• LogP: 1.35340
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 194.06669740
• Heavy Atom Count: 13
• Complexity: 162

Purity/Quality:

98%min ^*data from raw suppliers

3-[3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-propanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=NNC(=C1CCCO)C(F)(F)F

Technology Process of 3-[3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-propanol

There total 3 articles about 3-[3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-propanol 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: 99.0%

1-(3,4-dihydro-2H-5-pyranyl)-2,2,2-trifluoro-1-ethanone (109317-74-0) → 4-(3-hydroxypropyl)-3-trifluoromethylpyrazole (169213-78-9)

Guidance literature:

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

Reference yield: 96.0%

3-Pentafluoroethyl-tetrahydro-pyran-2-ol → 4-(3-hydroxypropyl)-3-trifluoromethylpyrazole (169213-78-9)

Guidance literature:

With hydrazine hydrate; In methanol; for 14h; Heating;

Reference yield:

3,4-dihydro-2H-pyran (110-87-2) + Pentafluoroethyl iodide (354-64-3) → 4-(3-hydroxypropyl)-3-trifluoromethylpyrazole (169213-78-9)

Guidance literature:

With sodium dithionite; sodium hydrogencarbonate; hydrazine hydrate; Yield given. Multistep reaction; 1.) MeCN, H₂O, 0-5 deg C, 0.5 h, 2.) reflux, 14 h;

upstream raw materials:

3,4-dihydro-2H-pyran

Pentafluoroethyl iodide

1-(3,4-dihydro-2H-5-pyranyl)-2,2,2-trifluoro-1-ethanone

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