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

Base Information

• Chemical Name: 5-Phenyl-4,5-dihydro-1H-pyrazole
• CAS No.: 936-47-0
• Molecular Formula: C9H10N2
• Molecular Weight: 146.192
• European Community (EC) Number: 840-312-1
• DSSTox Substance ID: DTXSID00918297
• Nikkaji Number: J481.297B
• Mol file: 936-47-0.mol

Synonyms:5-Phenyl-4,5-dihydro-1H-pyrazole;936-47-0;5-Phenyl-2-pyrazoline;1H-Pyrazole, 4,5-dihydro-5-phenyl-;SCHEMBL1178805;DTXSID00918297;3-phenyl-3,4-dihydro-2H-pyrazole;AKOS002669164;AKOS016044690;LS-128454;CS-0147993;EN300-685073

Chemical Property of 5-Phenyl-4,5-dihydro-1H-pyrazole

Chemical Property:

• Vapor Pressure: 0.00424mmHg at 25°C
• Boiling Point: 287.7°C at 760 mmHg
• Flash Point: 127.8°C
• Density: 1.12g/cm³
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 146.084398327
• Heavy Atom Count: 11
• Complexity: 148

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C=NNC1C2=CC=CC=C2

Technology Process of 5-Phenyl-4,5-dihydro-1H-pyrazole

There total 3 articles about 5-Phenyl-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: 85.0%

(E)-3-phenylpropenal (14371-10-9) → 5-phenyl-4,5-dihydro-1H-pyrazole (936-47-0)

Guidance literature:

With hydrazine; tert-butyl alcohol; Reflux;

Reference yield: 60.0%

3-phenyl-propenal (104-55-2) → 5-phenyl-4,5-dihydro-1H-pyrazole (936-47-0)

Guidance literature:

With hydrazine monohydrate; In butan-1-ol; Reflux;

Reference yield:

→ 5-phenyl-4,5-dihydro-1H-pyrazole (936-47-0)

Guidance literature:

entspr. (3d), wssr NaOH;

DOI:10.1021/jo00825a006

upstream raw materials:

3-phenyl-propenal

(E)-3-phenylpropenal

Downstream raw materials:

1-tert-butoxycarbonyl-4,5-dihydro-5-phenylpyrazole

(3R,5R)-3,5-Diphenyl-pyrazolidine

(E)-3-phenylpropenal

Refernces

• 1、 -. "N-(3-(IMIDAZO[1,2-B]PYRIDAZIN-3-YLETHYNYL)-4-METHYLPHENYL)-5-PHENYL-4,5-DIHYDRO-1H-PYRAZOLE-1-CARBOXAMIDE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR TREATING KINASE-RELATED DISEASES". Paragraph 0225-0228. . Retrieved 2021/09/17.
• 2、 Harris, Philip A.,Faucher, Nicolas,George, Nicolas,Eidam, Patrick M.,King, Bryan W.,White, Gemma V.,Anderson, Niall A.,Bandyopadhyay, Deepak,Beal, Allison M.,Beneton, Veronique,Berger, Scott B.,Campobasso, Nino,Campos, Sebastien,Capriotti, Carol A.,Cox, Julie A.,Daugan, Alain,Donche, Frederic,Fouchet, Marie-Hélène,Finger, Joshua N.,Geddes, Brad,Gough, Peter J.,Grondin, Pascal,Hoffman, Bonnie L.,Hoffman, Sandra J.,Hutchinson, Susan E.,Jeong, Jae U.,Jigorel, Emilie,Lamoureux, Pauline,Leister, Lara K.,Lich, John D.,Mahajan, Mukesh K.,Meslamani, Jamel,Mosley, Julie E.,Nagilla, Rakesh,Nassau, Pamela M.,Ng, Sze-Ling,Ouellette, Michael T.,Pasikanti, Kishore K.,Potvain, Florent,Reilly, Michael A.,Rivera, Elizabeth J.,Sautet, Stéphane,Schaeffer, Michelle C.,Sehon, Clark A.,Sun, Helen,Thorpe, James H.,Totoritis, Rachel D.,Ward, Paris,Wellaway, Natalie,Wisnoski, David D.,Woolven, James M.,Bertin, John,Marquis, Robert W.. "Discovery and Lead-Optimization of 4,5-Dihydropyrazoles as Mono-Kinase Selective, Orally Bioavailable and Efficacious Inhibitors of Receptor Interacting Protein 1 (RIP1) Kinase". . p. 5096 - 5110. Retrieved 2019/05/22.