Cas no 890652-03-6 (1-(4-Fluorophenyl)-1H-pyrazole-4-carbaldehyde)

1-(4-Fluorophenyl)-1H-pyrazole-4-carbaldehyde structure
890652-03-6 structure
Product Name:1-(4-Fluorophenyl)-1H-pyrazole-4-carbaldehyde
CAS No:890652-03-6
MF:C10H7FN2O
MW:190.173785448074
MDL:MFCD05864516
CID:69362
PubChem ID:329815779
Update Time:2024-10-26

1-(4-Fluorophenyl)-1H-pyrazole-4-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • 1-(4-Fluorophenyl)-1H-pyrazole-4-carbaldehyde
    • 1-(4-Fluorophenyl)-1H-pyrazole-4-carboxaldehyde
    • 1-(4-Fluoro-phenyl)-1H-pyrazole-4-carbaldehyde
    • 1-(4-fluorophenyl)-1H-pyrazole-4-carbaldehyde(SALTDATA: FREE)
    • 1-(4-fluorophenyl)pyrazole-4-carbaldehyde
    • 1H-Pyrazole-4-carboxaldehyde, 1-(4-fluorophenyl)-
    • 1-(4-Fluorophenyl)-1H-pyrazole-4-carbaldehyde, AldrichCPR
    • BBL015890
    • SBB010821
    • STK502132
    • 4702AC
    • 3-Pyrrolidinecarboxylicacid,1-methyl-
    • 1-(4-Fluorophenyl)-1H-pyrazole-4-carboxaldehyde (ACI)
    • 1-(4-Fluorophenyl)pyrazole-4-carboxaldehyde
    • OTZFOHVFXOKYGB-UHFFFAOYSA-N
    • ALBB-009324
    • AS-66644
    • MFCD05864516
    • Z317041698
    • SY185036
    • AKOS000172818
    • AP-501/43397467
    • CS-0132409
    • DTXSID60390191
    • SCHEMBL1990298
    • 890652-03-6
    • EN300-68243
    • MDL: MFCD05864516
    • Inchi: 1S/C10H7FN2O/c11-9-1-3-10(4-2-9)13-6-8(7-14)5-12-13/h1-7H
    • InChI Key: OTZFOHVFXOKYGB-UHFFFAOYSA-N
    • SMILES: FC1C=CC(N2N=CC(=C2)C=O)=CC=1

Computed Properties

  • Exact Mass: 190.05400
  • Monoisotopic Mass: 190.054
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 204
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 34.9
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 1.5

Experimental Properties

  • Color/Form: powder
  • Density: 1.24
  • Boiling Point: 306.5°C at 760 mmHg
  • Flash Point: 139.1°C
  • Refractive Index: 1.588
  • PSA: 34.89000
  • LogP: 1.82390
  • Sensitiveness: Air Sensitive
  • Solubility: Not determined

1-(4-Fluorophenyl)-1H-pyrazole-4-carbaldehyde Security Information

  • Hazardous Material transportation number:NONH for all modes of transport

1-(4-Fluorophenyl)-1H-pyrazole-4-carbaldehyde Pricemore >>

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1-(4-Fluorophenyl)-1H-pyrazole-4-carbaldehyde Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Trifluoroacetic acid ;  12 h, reflux
Reference
New pyrazole derivative 5-[1-(4-fluorophenyl)-1H-pyrazol-4-yl]-2H-tetrazole: Synthesis and assessment of some biological activities
Porfiro de Oliveira, Lanussy; Bueno da Silva, Daiany Priscilla; Florentino, Iziara Ferreira; Fajemiroye, James Oluwagbamigbe; Sardinha de Oliveira, Thiago; et al, Chemical Biology & Drug Design, 2017, 89(1), 124-135

Production Method 2

Reaction Conditions
1.1 Reagents: Acetic acid ,  Lithium perchlorate Catalysts: Cyclopropenylium, 1,2,3-tris[(2R,6S)-2,6-dimethyl-1-piperidinyl]-, rel-, perchlo… Solvents: Acetonitrile ;  60 h, rt
Reference
Electrophotocatalysis with a trisaminocyclopropenium radical dication
Huang, He; Strater, Zack M.; Rauch, Michael; Shee, James; Sisto, Thomas J.; et al, Angewandte Chemie, 2019, 58(38), 13318-13322

Production Method 3

Reaction Conditions
1.1 Reagents: Trifluoroacetic acid ;  12 h, reflux
1.2 Reagents: Sodium bicarbonate Solvents: Water ;  neutralized
Reference
Chemoselective and regiospecific formylation of 1-phenyl-1H-pyrazoles through the Duff reaction
de Oliveira, C. H. A.; Mairink, L. M.; Pazini, F.; Liao, L. M.; de Oliveira, A. L.; et al, Synthetic Communications, 2013, 43(12), 1633-1639

Production Method 4

Reaction Conditions
1.1 Reagents: Acetic acid ,  Tetrabutylammonium tetrafluoroborate Catalysts: 2,3-Dichloro-5,6-dicyano-1,4-benzoquinone Solvents: Acetonitrile ;  36 h, rt
Reference
Electrophotocatalytic SNAr Reactions of Unactivated Aryl Fluorides at Ambient Temperature and Without Base
Huang, He; Lambert, Tristan H., Angewandte Chemie, 2020, 59(2), 658-662

Production Method 5

Reaction Conditions
1.1 Reagents: Phosphorus oxychloride Solvents: Dimethylformamide ;  -5 °C; 1 h, -5 °C; -5 °C → 80 °C
1.2 80 °C; 5 h, 80 °C
1.3 Reagents: Water ;  overnight, cooled
1.4 Reagents: Sodium bicarbonate Solvents: Water ;  pH 5 - 6
Reference
Synthesis and characterization of novel arylformoylpyrazole
Liu, Shu-yun; Ren, Tie-gang; Chen, Hong-bin; Li, Gui-hui, Henan Daxue Xuebao, 2012, 42(2), 154-158

Production Method 6

Reaction Conditions
1.1 Catalysts: Antimony pentachloride ,  1820760-34-6 Solvents: Acetonitrile ;  16 h
Reference
Oxidative con-PET catalysis for arene functionalization
Bieszczad, Bartosz; Karl, Tobias A.; Rolka, Alessa B.; Nuernberger, Patrick; Kutta, Roger J.; et al, ChemRxiv, 2022, 1, 1-49

1-(4-Fluorophenyl)-1H-pyrazole-4-carbaldehyde Raw materials

1-(4-Fluorophenyl)-1H-pyrazole-4-carbaldehyde Preparation Products

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