Methyl 3-(4-chlorophenyl)-4,5-dihydro-4-methyl-1-(((4-(trifluoromethyl)phenyl)amino)carbonyl)-1H-pyrazole-4-carboxylate

Base Information

Chemical Name:Methyl 3-(4-chlorophenyl)-4,5-dihydro-4-methyl-1-(((4-(trifluoromethyl)phenyl)amino)carbonyl)-1H-pyrazole-4-carboxylate
CAS No.:99832-61-8
Molecular Formula:C₂₀H₁₇ClF₃N₃O₃
Molecular Weight:439.821
Hs Code.:
DSSTox Substance ID:DTXSID10912448
Nikkaji Number:J344.498H

Synonyms:RH 3421;RH-3421

Suppliers and Price of Methyl 3-(4-chlorophenyl)-4,5-dihydro-4-methyl-1-(((4-(trifluoromethyl)phenyl)amino)carbonyl)-1H-pyrazole-4-carboxylate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Methyl 3-(4-chlorophenyl)-4,5-dihydro-4-methyl-1-(((4-(trifluoromethyl)phenyl)amino)carbonyl)-1H-pyrazole-4-carboxylate

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
PSA：71.00000
Density:1.38g/cm³
LogP:4.23640
XLogP3:4.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:439.0910536
Heavy Atom Count:30
Complexity:687

Purity/Quality:

Safty Information:

Pictogram(s): Moderately toxic by ingestion.
Hazard Codes:Moderately toxic by ingestion.

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(CN(N=C1C2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)C(F)(F)F)C(=O)OC

Technology Process of Methyl 3-(4-chlorophenyl)-4,5-dihydro-4-methyl-1-(((4-(trifluoromethyl)phenyl)amino)carbonyl)-1H-pyrazole-4-carboxylate

There total 7 articles about Methyl 3-(4-chlorophenyl)-4,5-dihydro-4-methyl-1-(((4-(trifluoromethyl)phenyl)amino)carbonyl)-1H-pyrazole-4-carboxylate 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: 95.0%

: (4RS)-3-(4-Chlorophenyl)-4-methoxycarbonyl-4-methyl-2-pyrazolinium chloride

: 1548-13-6
p-trifluoromethyl-phenylisocyanate

: 99832-61-8
N-(4-trifluoromethylphenyl)-3-(4-chlorophenyl)-4-carbomethoxy-4-methyl-4,5-dihydro-1H-pyrazole-1-carboxamide

Guidance literature:: With triethylamine; In dichloromethane;

Reference yield: 95.0%

: 131825-45-1
3-(4-chlorophenyl)-4-carbomethoxy-4-methyl-4,5-dihydro-1H-pyrazole

: 1548-13-6
p-trifluoromethyl-phenylisocyanate

: 99832-61-8
N-(4-trifluoromethylphenyl)-3-(4-chlorophenyl)-4-carbomethoxy-4-methyl-4,5-dihydro-1H-pyrazole-1-carboxamide

Guidance literature:

Reference yield:

: 6285-05-8
4'-chloropropiophenone

: 99832-61-8
N-(4-trifluoromethylphenyl)-3-(4-chlorophenyl)-4-carbomethoxy-4-methyl-4,5-dihydro-1H-pyrazole-1-carboxamide

Guidance literature:: Multi-step reaction with 5 steps

1.1: 55 percent / NaH / tetrahydrofuran / Heating

2.1: pyridine; 'Triton'-B / methanol / 2 h / Heating

3.1: 43.4 percent / Et₃N / toluene / 6 h / 20 °C

4.1: N₂H₄*H₂O; sodium acetate; AcOH / methanol / 2 h / Heating

4.2: 75 percent / HCl / diethyl ether

5.1: 76 percent / Et₃N / CH₂Cl₂ / 20 °C

With pyridine; sodium acetate; N-benzyl-trimethylammonium hydroxide; sodium hydride; hydrazine hydrate; acetic acid; triethylamine; In tetrahydrofuran; methanol; dichloromethane; toluene; 1.1: Substitution / 2.1: Formylation / 3.1: Substitution / 4.1: Diazotization / 4.2: Cyclization / 5.1: Substitution;
DOI:10.1002/ps.2780420406