Cas no 936940-82-8 (1-(3-Fluorophenyl)-1H-pyrazole-4-carbaldehyde)

1-(3-Fluorophenyl)-1H-pyrazole-4-carbaldehyde structure
936940-82-8 structure
Product Name:1-(3-Fluorophenyl)-1H-pyrazole-4-carbaldehyde
CAS No:936940-82-8
MF:C10H7FN2O
MW:190.173785448074
MDL:MFCD05864517
CID:796823
PubChem ID:40428278
Update Time:2024-10-26

1-(3-Fluorophenyl)-1H-pyrazole-4-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • 1-(3-Fluorophenyl)-1H-pyrazole-4-carbaldehyde
    • 1-(3-fluorophenyl)-1H-Pyrazole-4-carboxaldehyde
    • 1-(3-fluorophenyl)pyrazole-4-carbaldehyde
    • 1H-Pyrazole-4-carboxaldehyde,1-(3-fluorophenyl)-
    • 9-bromo-10-(naphthalen-1-yl)anthracene
    • 1-(3-Fluorophenyl)-1H-pyrazole-4-carboxaldehyde (ACI)
    • 1-(3-Fluorophenyl)pyrazole-4-carboxaldehyde
    • AKOS005176420
    • 1-(3-Fluorophenyl)-1H-pyrazole-4-carbaldehyde, AldrichCPR
    • AS-47116
    • CHEMBRDG-BB 4003862
    • F12140
    • DB-013670
    • EN300-141569
    • F3379-1037
    • SCHEMBL15181516
    • Z825723142
    • 936940-82-8
    • DTXSID10654290
    • MFCD05864517
    • MDL: MFCD05864517
    • Inchi: 1S/C10H7FN2O/c11-9-2-1-3-10(4-9)13-6-8(7-14)5-12-13/h1-7H
    • InChI Key: FKZJADFSOBJBNG-UHFFFAOYSA-N
    • SMILES: O=CC1=CN(C2C=C(F)C=CC=2)N=C1

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: 212
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 1.5
  • Topological Polar Surface Area: 34.9A^2

Experimental Properties

  • Density: 1.16
  • Boiling Point: 241.3°C at 760 mmHg
  • Flash Point: 99.7°C
  • Refractive Index: 1.574
  • PSA: 34.89000
  • LogP: 1.82390

1-(3-Fluorophenyl)-1H-pyrazole-4-carbaldehyde Security Information

  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3

1-(3-Fluorophenyl)-1H-pyrazole-4-carbaldehyde Pricemore >>

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1-(3-Fluorophenyl)-1H-pyrazole-4-carbaldehyde Production Method

Production Method 1

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 2

Reaction Conditions
1.1 Reagents: Pyridinium chlorochromate Solvents: Dichloromethane ;  2 h, rt
Reference
Preparation of 5-pyrazolylmethylene-2-(thi)oxo-thiazolidin-4-one derivatives as mTOR inhibitors and their uses
, World Intellectual Property Organization, , ,

Production Method 3

Reaction Conditions
1.1 Reagents: Trifluoroacetic acid ;  12 h, reflux
Reference
Design, synthesis and pharmacological evaluation of new anti-inflammatory compounds
Cidade, Amanda F.; Vasconcelos, Patricia A.; Silva, Daiany P. B.; Florentino, Iziara F.; Vasconcelos, Gessica A.; et al, European Journal of Pharmacology, 2016, 791, 195-204

Production Method 4

Reaction Conditions
1.1 Reagents: Trifluoroacetic acid ;  12 h, reflux
1.2 Reagents: Sodium bicarbonate Solvents: Water ;  neutralized
Reference
Heterogeneous Copper-Catalyzed Aerobic Oxidative Conversions of Benzaldehydes with Aqueous Ammonia to Give Benzonitriles
Yoon, Yousun; Kim, Bo Ram; Lee, Chang Yeon; Kim, Jinho, Asian Journal of Organic Chemistry, 2016, 5(6), 746-749

Production Method 5

Reaction Conditions
Reference
Aerobic oxidative conversion of alcohol to nitrile using heterogeneous copper catalyst
, Korea, , ,

Production Method 6

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

1-(3-Fluorophenyl)-1H-pyrazole-4-carbaldehyde Raw materials

1-(3-Fluorophenyl)-1H-pyrazole-4-carbaldehyde Preparation Products

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