3-(4-chlorophenyl)-1,5-diphenyl-4,5-dihydro-1H-pyrazole

Base Information

• Chemical Name: 3-(4-chlorophenyl)-1,5-diphenyl-4,5-dihydro-1H-pyrazole
• CAS No.: 10180-02-6
• Molecular Formula: C21H17 Cl N2
• Molecular Weight: 332.832
• NSC Number: 409747
• DSSTox Substance ID: DTXSID001206360
• Nikkaji Number: J574.110F
• ChEMBL ID: CHEMBL2140955
• Mol file: 10180-02-6.mol

Synonyms:3-(4-chlorophenyl)-1,5-diphenyl-4,5-dihydro-1H-pyrazole;10180-02-6;5-(4-chlorophenyl)-2,3-diphenyl-3,4-dihydropyrazole;C21H17ClN2;3-(4-chlorophenyl)-1,5-diphenyl-2-pyrazoline;3-(p-Chlorophenyl)-1,5-diphenyl-2-pyrazoline;2-Pyrazoline, 3-(p-chlorophenyl)-1,5-diphenyl-;1H-Pyrazole, 4,5-dihydro-3-(4-chlorophenyl)-1,5-diphenyl-;VU0467056-1;NSC409747;SCHEMBL554670;cid_101167;CHEMBL2140955;BDBM91542;C21-H17-Cl-N2;DTXSID001206360;STK860221;AKOS001715088;AKOS016340078;NSC 409747;NSC-409747;LS-128778;CS-0365655;1,5-Diphenyl-3-(4-chlorophenyl)-2-pyrazoline;1,5-Diphenyl-3-(p-chlorphenyl)-pyrazolin-I2;5N-737;SR-01000508986;SR-01000508986-1;3-(4-Chlorophenyl)-4,5-dihydro-1,5-diphenyl-1H-pyrazole

Chemical Property of 3-(4-chlorophenyl)-1,5-diphenyl-4,5-dihydro-1H-pyrazole

Chemical Property:

• Vapor Pressure: 3.41E-09mmHg at 25°C
• Boiling Point: 475.1°Cat760mmHg
• Flash Point: 241.1°C
• Density: 1.18g/cm³
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 332.1080262
• Heavy Atom Count: 24
• Complexity: 429

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(N(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3)C4=CC=CC=C4

Technology Process of 3-(4-chlorophenyl)-1,5-diphenyl-4,5-dihydro-1H-pyrazole

There total 14 articles about 3-(4-chlorophenyl)-1,5-diphenyl-4,5-dihydro-1H-pyrazole 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: 92.0%

phenylhydrazine (100-63-0) + 4'-chlorochalcone (956-02-5) → 3-(4-chloro-phenyl)-1,5-diphenyl-4,5-dihydro-1H-pyrazole (10180-02-6)

Guidance literature:

With Cs_2.5H_0.5PW₁₂O₄₀ nanocrystals; In ethanol; for 0.333333h;

DOI:10.1016/S1872-2067(11)60330-6

Reference yield: 90.0%

3-(4-chlorophenyl)-1-phenylprop-2-en-1-one (956-04-7) + phenylhydrazine (100-63-0) → 3-(4-chloro-phenyl)-1,5-diphenyl-4,5-dihydro-1H-pyrazole (10180-02-6)

Guidance literature:

With tungstophosphoric acid supported on polyamide; In ethanol; at 45 ℃; for 5.25h;

DOI:10.1016/S1872-2067(10)60203-3

Reference yield: 85.0%

(E)-1-(4-chlorophenyl)-3-phenyl-2-propen-1-one (22966-22-9) + phenylhydrazine (100-63-0) → 3-(4-chloro-phenyl)-1,5-diphenyl-4,5-dihydro-1H-pyrazole (10180-02-6)

Guidance literature:

With potassium carbonate; In ethanol; for 0.233333h; Heating;

DOI:10.1007/s10593-006-0176-1

upstream raw materials:

phenylhydrazine

4'-chlorochalcone

(E)-1-(4-chlorophenyl)-3-phenyl-2-propen-1-one

para-chloroacetophenone

Downstream raw materials:

C₂₂H₁₇Cl₂N₃O₃S

{4-[3-(4-Chloro-phenyl)-5-phenyl-4,5-dihydro-pyrazol-1-yl]-phenyl}-(4-nitro-phenyl)-diazene

{4-[3-(4-Chloro-phenyl)-5-phenyl-4,5-dihydro-pyrazol-1-yl]-phenyl}-phenyl-diazene

(4-Chloro-phenyl)-{4-[3-(4-chloro-phenyl)-5-phenyl-4,5-dihydro-pyrazol-1-yl]-phenyl}-diazene

Refernces

• 1、 Safaei-Ghomi,Bamoniri,Soltanian-Telkabadi. "A modified and convenient method for the preparation of N-phenylpyrazoline derivatives". . p. 892 - 896. Retrieved 2006.
• 2、 Kolla, Sai Teja,Somanaboina, Ramya,Bhimapaka, China Raju. "TBHP/Cu(OAc)2 mediated oxidation of pyrazolines: A convenient method for the preparation of pyrazoles". supporting information. p. 1425 - 1432. Retrieved 2021/02/27.