Benzoylpyrazole

Base Information

• Chemical Name: Benzoylpyrazole
• CAS No.: 19854-92-3
• Molecular Formula: C10H8N2O
• Molecular Weight: 172.1833
• NSC Number: 166869,47483
• DSSTox Substance ID: DTXSID50286771
• Nikkaji Number: J638.209F
• Wikidata: Q82022569
• Mol file: 19854-92-3.mol

Synonyms:benzoylpyrazole;19854-92-3;3-benzoyl-1H-pyrazole;phenyl(1h-pyrazol-5-yl)methanone;NSC47483;PHENYL(PYRAZOL-5-YL)METHANONE;SCHEMBL135361;DTXSID50286771;Methanone,phenyl-1H-pyrazol-3-yl-;NSC-47483;NSC166869;phenyl-(1H-pyrazol-3-yl)-methanone;AKOS037645592;MB69082;NSC-166869;AS-61630;D97175

Chemical Property of Benzoylpyrazole

Chemical Property:

• Vapor Pressure: 1.09E-05mmHg at 25°C
• Boiling Point: 370.7°Cat760mmHg
• Flash Point: 181.5°C
• Density: 1.237g/cm³
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 172.063662883
• Heavy Atom Count: 13
• Complexity: 187

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=CC=NN2

Technology Process of Benzoylpyrazole

There total 19 articles about Benzoylpyrazole 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: 93.0%

ethyl 2-diazo-1-phenylbut-3-en-1-one (1434140-10-9) → phenyl(1H-pyrazol-5-yl)methanone (19854-92-3)

Guidance literature:

In 1,2-dichloro-ethane; at 70 ℃; for 3h; Inert atmosphere;

DOI:10.1021/acs.orglett.0c02765

Reference yield: 82.0%

diazomethane (186581-53-3,908094-01-9,334-88-3) + (E)-1-phenyl-3-tosylprop-2-en-1-one (21860-48-0) → phenyl-(1(2)H-pyrazol-3-yl)-methanone (19854-92-3)

Guidance literature:

With triethylamine; In diethyl ether; dichloromethane; at 0 ℃;

Reference yield: 82.0%

phenyl 1-(4-methoxybenzyl)-1H-pyrazol-5yl-ketone → phenyl(1H-pyrazol-5-yl)methanone (19854-92-3)

Guidance literature:

With methoxybenzene; trifluoroacetic acid; In 1,2-dichloro-ethane; Heating;

DOI:10.1080/00397919508011414

upstream raw materials:

diazomethane

phenyl propargyl ketone

1-benzoyl-2-chloroethene

5-Benzoyl-3,4-dihydro-2H-pyrazole-3-carbonitrile

Refernces

• 1、 Reddy, D. Bhaskar,Sarma, M. Rajagopala,Padmaja, A.,Padmavathi, V.. "Reactivity of Bifunctional Alkenes with Diazomethane". . p. 23 - 32. Retrieved 2007/10/03.
• 2、 Fugina, Natalie,Holzer, Wolfgang,Wasicky, Michael. "THE METHYL FUNCTION AS SUITABLE N-1 PROTECTING GROUP IN LITHIATION REACTIONS WITH PYRAZOLES AND 1,2,4-TRIAZOLES". . p. 303 - 314. Retrieved 2007/10/02.