Cas no 959986-66-4 (4-Iodo-1-Methyl-1H-pyrazole-5-carbaldehyde)

4-Iodo-1-Methyl-1H-pyrazole-5-carbaldehyde structure
959986-66-4 structure
Product Name:4-Iodo-1-Methyl-1H-pyrazole-5-carbaldehyde
CAS No:959986-66-4
MF:C5H5IN2O
MW:236.010473012924
MDL:MFCD22200307
CID:822949
PubChem ID:17853460
Update Time:2025-11-07

4-Iodo-1-Methyl-1H-pyrazole-5-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • 4-iodo-1-Methyl-1H-pyrazole-5-carbaldehyde
    • 4-iodo-2-methylpyrazole-3-carbaldehyde
    • QYQOXBFGROQSBB-UHFFFAOYSA-N
    • AB0032264
    • 4-iodo-1-methyl-1H-pyrazol-5-carbaldehyde
    • ST24043803
    • X5555
    • 4-Iodo-1-methyl-1H-pyrazole-5-carboxaldehyde (ACI)
    • 959986-66-4
    • CS-0006630
    • MFCD22200307
    • STL587876
    • DA-00137
    • EN300-322247
    • DTXSID20591288
    • DS-18460
    • SCHEMBL14937452
    • Z1551955560
    • AKOS016006672
    • W16901
    • 4-Iodo-1-Methyl-1H-pyrazole-5-carbaldehyde
    • MDL: MFCD22200307
    • Inchi: 1S/C5H5IN2O/c1-8-5(3-9)4(6)2-7-8/h2-3H,1H3
    • InChI Key: QYQOXBFGROQSBB-UHFFFAOYSA-N
    • SMILES: O=CC1N(C)N=CC=1I

Computed Properties

  • Exact Mass: 235.94466g/mol
  • Monoisotopic Mass: 235.94466g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 120
  • 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
  • XLogP3: 0.7

Experimental Properties

  • Density: 2.07

4-Iodo-1-Methyl-1H-pyrazole-5-carbaldehyde Pricemore >>

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4-Iodo-1-Methyl-1H-pyrazole-5-carbaldehyde Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: N-Iodosuccinimide Solvents: Trifluoroacetic acid ;  1.5 h, rt
1.2 Reagents: Water
Reference
Preparation of fused polycyclic 2-pyridinone antibacterial compounds
, World Intellectual Property Organization, , ,

Production Method 2

Reaction Conditions
1.1 Reagents: Lithium diisopropylamide Solvents: Tetrahydrofuran ;  -20 °C; 2 h, -20 °C
1.2 overnight, -20 °C → rt
1.3 Reagents: Ammonium chloride Solvents: Water ;  rt
Reference
Rapid Access to Pyrazolo[3,4-c]pyridines via Alkyne Annulation: Limitations of Steric Control in Nickel-Catalyzed Alkyne Insertions
Heller, Stephen T.; Natarajan, Swaminathan R., Organic Letters, 2007, 9(24), 4947-4950

Production Method 3

Reaction Conditions
1.1 Reagents: N-Iodosuccinimide Solvents: Trifluoroacetic acid ;  0 °C; 16 h, rt
Reference
Preparation of thieno[3,2-b]pyrrole[3,2-d]pyridazinone derivatives and their use as PKM2 modulators for the treatment of cancer, obesity and diabetes-related disorders
, World Intellectual Property Organization, , ,

Production Method 4

Reaction Conditions
1.1 Reagents: N-Iodosuccinimide Solvents: Trifluoroacetic acid ;  1 h, rt
Reference
Preparation of heteroaryl-pyrazole derivatives as group II mGlu receptor antagonists
, World Intellectual Property Organization, , ,

Production Method 5

Reaction Conditions
1.1 Reagents: Sodium acetate ,  Iodine chloride Solvents: Acetic acid ;  rt; 4 h, rt
Reference
Preparation of ethynyl-pyrazole derivatives as group II mGlu receptor antagonists
, World Intellectual Property Organization, , ,

4-Iodo-1-Methyl-1H-pyrazole-5-carbaldehyde Raw materials

4-Iodo-1-Methyl-1H-pyrazole-5-carbaldehyde Preparation Products

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