1,3-Diphenyl-4,5-dihydro-1H-pyrazole

Base Information

• Chemical Name: 1,3-Diphenyl-4,5-dihydro-1H-pyrazole
• CAS No.: 2538-52-5
• Molecular Formula: C15H14 N2
• Molecular Weight: 222.29
• European Community (EC) Number: 683-853-7
• NSC Number: 625226,186211
• DSSTox Substance ID: DTXSID50307031
• Nikkaji Number: J110.738K
• Wikidata: Q82054355
• ChEMBL ID: CHEMBL1305810
• Mol file: 2538-52-5.mol

Synonyms:1,3-Diphenyl-4,5-dihydro-1H-pyrazole;2538-52-5;1,3-Diphenyl-2-pyrazoline;2,5-diphenyl-3,4-dihydropyrazole;1H-Pyrazole, 4,5-dihydro-1,3-diphenyl-;2-Pyrazoline, 1,3-diphenyl-;1,3-Diphenyl-.DELTA.2-pyrazoline;NSC625226;NSC186211;2-Pyrazoline,3-diphenyl-;MLS000717825;SCHEMBL157594;CHEMBL1305810;BDBM81646;DTXSID50307031;HMS2773G04;MFCD00227575;STK723314;AKOS000588657;1H-Pyrazole,5-dihydro-1,3-diphenyl-;NSC 186211;NSC-186211;NSC-625226;1,3-Diphenyl-.delta.(sup2)-pyrazoline;SMR000279193;1,3-Diphenyl-4,5-dihydro-1H-pyrazole #;4,5-Dihydro-(1H)-pyrazole derivative, 2a;CS-0215921;FT-0731850;EN300-31035;AB00073849-01;AE-848/30721014;Z56802356

Chemical Property of 1,3-Diphenyl-4,5-dihydro-1H-pyrazole

Chemical Property:

• Vapor Pressure: 3.98E-05mmHg at 25°C
• Boiling Point: 351.9°Cat760mmHg
• Flash Point: 166.6°C
• PSA: 15.60000
• Density: 1.08g/cm³
• LogP: 2.80160
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 222.115698455
• Heavy Atom Count: 17
• Complexity: 273

Purity/Quality:

99% ^*data from raw suppliers

1,3-diphenyl-4,5-dihydro-1H-pyrazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3

Technology Process of 1,3-Diphenyl-4,5-dihydro-1H-pyrazole

There total 33 articles about 1,3-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: 91.0%

Phenyl-(1-phenyl-cyclopropyl)-diazene (105486-40-6) → 1,3-diphenyl-4,5-dihydro-1H-pyrazole (2538-52-5)

Guidance literature:

With tin(ll) chloride; In benzene; for 2h; Heating;

DOI:10.1016/S0040-4039(00)84019-8

Reference yield: 85.0%

1-Phenyl-2-propyn-1-ol (4187-87-5) + phenylhydrazine (100-63-0) → 1,3-diphenyl-4,5-dihydro-1H-pyrazole (2538-52-5)

Guidance literature:

With potassium tert-butylate; In toluene; at 100 ℃; for 4h; Inert atmosphere;

DOI:10.1039/c3ob42432d

Reference yield: 74.0%

3-(N-nitroso-N-phenylamino)-1-phenylpropane-1-one (21918-05-8) → 1,3-diphenyl-4,5-dihydro-1H-pyrazole (2538-52-5)

Guidance literature:

With acetic acid; zinc; In ethanol; at 10 ℃; for 1.5h; Heating;

DOI:10.1002/jhet.3055

upstream raw materials:

pyridine

1-phenyl-4,5-dihydro-1H-pyrazole

benzene diazonium chloride

1,3-diphenyl-1H-pyrazole

Downstream raw materials:

3-phenyl-1-(4-phenylazo-phenyl)-4,5-dihydro-1H-pyrazole

N-<4'-(3-phenyl-4,5-dihydropyrazol-1-yl)biphenyl-4-yl>acetamide

N-<4'-(3-phenylpyrazol-1-yl)biphenyl-4-yl>acetamide

1,1'-(4,4'-biphenylene)bis<3-phenyl-2-pyrazoline>

Refernces

• 1、 Wang, Xu,Pan, Ying-Ming,Huang, Xiao-Chao,Mao, Zhong-Yuan,Wang, Heng-Shan. "A novel methodology for synthesis of dihydropyrazole derivatives as potential anticancer agents". supporting information. p. 2028 - 2032. Retrieved 2014/03/21.
• 2、 Dhakshinamoorthy, Amarajothi,Alvaro, Mercedes,Garcia, Hermenegildo. "Metal-organic frameworks (MOFs) as heterogeneous catalysts for the chemoselective reduction of carbon-carbon multiple bonds with hydrazine". scheme or table. p. 2271 - 2276. Retrieved 2009/12/26.