Cas no 85302-16-5 (1-methyl-4,5,6,7-tetrahydro-1H-indazol-4-one)

1-methyl-4,5,6,7-tetrahydro-1H-indazol-4-one structure
85302-16-5 structure
Product Name:1-methyl-4,5,6,7-tetrahydro-1H-indazol-4-one
CAS No:85302-16-5
MF:C8H10N2O
MW:150.177801609039
MDL:MFCD00930489
CID:1006589
PubChem ID:2765796
Update Time:2024-10-26

1-methyl-4,5,6,7-tetrahydro-1H-indazol-4-one Chemical and Physical Properties

Names and Identifiers

    • 1-Methyl-6,7-dihydro-1H-indazol-4(5H)-one
    • 1,5,6,7-tetrahydro-1-methyl-4H-Indazol-4-one
    • 1-Methyl-1,5,6,7-tetrahydroindazol-4-one
    • 1,5,6,7-Tetrahydro-1-methyl-4H-indazol-4-one (ACI)
    • 1-Methyl-4,5,6,7-tetrahydro-1H-indazol-4-one
    • 1-Methyl-4-oxo-4,5,6,7-tetrahydro-1H-indazole
    • 1-Methyl-6,7-dihydro-5H-indazol-4-one
    • STL557236
    • AKOS000320443
    • DTXSID80377565
    • J-504845
    • MFCD00930489
    • SY168489
    • SCHEMBL1986758
    • 1-Methyl-1,5,6,7-tetrahydroindazol-4-one, AldrichCPR
    • DB-076321
    • Kinome_3369
    • 10N-510S
    • BBL103426
    • 1-methyl-1,5,6,7-tetrahydro-4H-indazol-4-one
    • PWZFWKUHDMFIAL-UHFFFAOYSA-N
    • Z336028554
    • EN300-35487
    • CS-0130154
    • F2124-1026
    • CHEMBL1981107
    • 85302-16-5
    • 1-methyl-4,5,6,7-tetrahydro-1H-indazol-4-one
    • MDL： MFCD00930489
    • Inchi： 1S/C8H10N2O/c1-10-7-3-2-4-8(11)6(7)5-9-10/h5H,2-4H2,1H3
    • InChI Key： PWZFWKUHDMFIAL-UHFFFAOYSA-N
    • SMILES： O=C1CCCC2=C1C=NN2C

Computed Properties

  • Exact Mass: 150.079312947g/mol
  • Monoisotopic Mass: 150.079312947g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 181
  • 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
  • XLogP3: 0.4
  • Topological Polar Surface Area: 34.9?2

1-methyl-4,5,6,7-tetrahydro-1H-indazol-4-one Pricemore >>

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 85302-16-5 95%
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 85302-16-5 95%
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Chemenu
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1-methyl-4,5,6,7-tetrahydro-1H-indazol-4-one Production Method

Production Method 1

Reaction Conditions
1.1 Solvents: Methanol
Reference
Synthesis and structures of pyrazoles from ethoxymethylene derivatives of 1,3-dicarbonyl compounds and hydrazines
Nagarajan, Kuppuswamy; et al, Journal of Chemical Research, 1986, (5), 166-7

Production Method 2

Reaction Conditions
1.1 Reagents: Acetic acid Solvents: Ethanol ;  2 h, reflux
Reference
Synthesis and SAR Analysis of Novel 4-Hydroxytamoxifen Analogues Based on Their Cytotoxic Activity and Electron-Donor Character
Duro, Cintia; et al, Molecules, 2022, 27(19),

Production Method 3

Reaction Conditions
1.1 Solvents: 2,2,2-Trifluoroethanol ;  0 °C; 5 min, reflux
Reference
Catalyst-free one-pot synthesis of 1,4,5-trisubstituted pyrazoles in 2,2,2-trifluoroethanol
Alinezhad, Heshmatollah; et al, Journal of Fluorine Chemistry, 2011, 132(11), 995-1000

Production Method 4

Reaction Conditions
Reference
Reaction of 2-dimethylaminomethylene-1,3-diones with dinucleophiles. I. Synthesis of 1,5-disubstituted 4-acylpyrazoles
Schenone, Pietro; et al, Journal of Heterocyclic Chemistry, 1982, 19(6), 1355-61

Production Method 5

Reaction Conditions
1.1 Reagents: Acetic acid Solvents: Ethanol ;  2 h, reflux
Reference
Pyrazolo[3,4-h]quinolines promising photosensitizing agents in the treatment of cancer
Spano, Virginia; et al, European Journal of Medicinal Chemistry, 2015, 102, 334-351

Production Method 6

Reaction Conditions
1.1 -
2.1 Reagents: Acetic acid Solvents: Ethanol ;  2 h, reflux
Reference
Pyrazolo[3,4-h]quinolines promising photosensitizing agents in the treatment of cancer
Spano, Virginia; et al, European Journal of Medicinal Chemistry, 2015, 102, 334-351

Production Method 7

Reaction Conditions
1.1 Solvents: Ethanol
2.1 Solvents: Methanol
Reference
Synthesis and structures of pyrazoles from ethoxymethylene derivatives of 1,3-dicarbonyl compounds and hydrazines
Nagarajan, Kuppuswamy; et al, Journal of Chemical Research, 1986, (5), 166-7

1-methyl-4,5,6,7-tetrahydro-1H-indazol-4-one Raw materials

1-methyl-4,5,6,7-tetrahydro-1H-indazol-4-one Preparation Products

1-methyl-4,5,6,7-tetrahydro-1H-indazol-4-one Related Literature

Related Categories

85302-16-5 (1-methyl-4,5,6,7-tetrahydro-1H-indazol-4-one) Related Products

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