4,5-Dihydro-1-(3-(trifluoromethyl)phenyl)-1H-pyrazol-3-amine

Base Information

• Chemical Name: 4,5-Dihydro-1-(3-(trifluoromethyl)phenyl)-1H-pyrazol-3-amine
• CAS No.: 66000-40-6
• Molecular Formula: C10H10F3N3
• Molecular Weight: 229.205
• Hs Code.: 2933199090
• European Community (EC) Number: 266-051-8
• UNII: 6V6JF56BXO
• DSSTox Substance ID: DTXSID30216213
• Nikkaji Number: J22.743I
• Wikidata: Q27265569
• Pharos Ligand ID: VWNMCQL1H6MS
• ChEMBL ID: CHEMBL274642
• Mol file: 66000-40-6.mol

Synonyms:4,5-Dihydro-1-(3-(trifluoromethyl)phenyl)-1H-pyrazol-3-amine;BW 755C;BW-755C;BW755C

Chemical Property of 4,5-Dihydro-1-(3-(trifluoromethyl)phenyl)-1H-pyrazol-3-amine

Chemical Property:

• Vapor Pressure: 0.00068mmHg at 25°C
• Boiling Point: 308.5°C at 760 mmHg
• PKA: 2.57±0.70(Predicted)
• Flash Point: 140.4°C
• PSA: 39.12000
• Density: 1.4g/cm³
• LogP: 2.89090
• Solubility.: ≤30mg/ml in ethanol;30mg/ml in DMSO;25mg/ml in dimethyl formamide
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 229.08268182
• Heavy Atom Count: 16
• Complexity: 288

Purity/Quality:

97% ^*data from raw suppliers

1-[3-(Trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazol-3-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(N=C1N)C2=CC=CC(=C2)C(F)(F)F

Technology Process of 4,5-Dihydro-1-(3-(trifluoromethyl)phenyl)-1H-pyrazol-3-amine

There total 6 articles about 4,5-Dihydro-1-(3-(trifluoromethyl)phenyl)-1H-pyrazol-3-amine 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: 76.0%

4,5-dihydro-3-(4-chlobenzoylamino)-1-(3-trifluoromethylphenyl)-1H-pyrazole (126646-34-2) → 3-amino-1-<3-(trifluoromethyl)phenyl>-2-pyrazoline (66000-40-6)

Guidance literature:

With sodium hydroxide; In ethanol; Heating;

DOI:10.1016/0223-5234(89)90089-5

Reference yield: 66.0%

CHOLINE + acrylonitrile (107-13-1,25014-41-9) + 3-(trifluoromethyl)phenylhydrazine (368-78-5) → 3-amino-1-<3-(trifluoromethyl)phenyl>-2-pyrazoline (66000-40-6)

Guidance literature:

With hydrogenchloride; sodium hydroxide; In hexane; ethyl acetate;

Reference yield:

acrylonitrile (107-13-1,25014-41-9) + 3-(trifluoromethyl)phenylhydrazine (368-78-5) → 3-amino-1-<3-(trifluoromethyl)phenyl>-2-pyrazoline (66000-40-6)

Guidance literature:

With sodium ethanolate; In ethanol; for 24h; Heating / reflux;

upstream raw materials:

4,5-dihydro-3-(4-chlobenzoylamino)-1-(3-trifluoromethylphenyl)-1H-pyrazole

5-(4-chlorophenyl)-3-<2-(3-trifluoromethylphenyl)-aminoethyl>-1,2,4-oxadiazole

β-(3-trifluoromethylphenylamino)-propionamidoxime*HCl

acrylonitrile

Downstream raw materials:

4,5-dihydro-3-(1-pyrrolyl)-1-(3-trifluoromethylphenyl)-1H-pyrazol

N-[1-(3-Trifluoromethyl-phenyl)-4,5-dihydro-1H-pyrazol-3-yl]-acetamide

1-(3-(trifluoromethyl)phenyl)-3-amino-1H-pyrazole

1-(3-Trifluoromethylphenyl)-4,5-dihydro-N-(4-methoxy phenyl)-1H-pyrazol-3-amine