Cas no 944899-05-2 (Methyl 3-iodo-1H-indazole-7-carboxylate)

Methyl 3-iodo-1H-indazole-7-carboxylate structure
944899-05-2 structure
Product Name:Methyl 3-iodo-1H-indazole-7-carboxylate
CAS No:944899-05-2
MF:C9H7IN2O2
MW:302.068554162979
MDL:MFCD09749943
CID:840475
PubChem ID:24729392
Update Time:2024-10-25

Methyl 3-iodo-1H-indazole-7-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 3-iodo-1H-indazole-7-carboxylate
    • 3-Iodo-methyl [1]indazole-7-carboxylate
    • Methyl 3-iodoindazole-7-carboxylate
    • Methyl 3-iodo-1H-indazole-7-carboxylate (ACI)
    • MDL: MFCD09749943
    • Inchi: 1S/C9H7IN2O2/c1-14-9(13)6-4-2-3-5-7(6)11-12-8(5)10/h2-4H,1H3,(H,11,12)
    • InChI Key: BGYFLVURLOZQLU-UHFFFAOYSA-N
    • SMILES: O=C(C1C2=C(C(=NN2)I)C=CC=1)OC

Computed Properties

  • Exact Mass: 301.95523g/mol
  • Monoisotopic Mass: 301.95523g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 237
  • 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: 2.1
  • Topological Polar Surface Area: 55?2

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Methyl 3-iodo-1H-indazole-7-carboxylate Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Potassium hydroxide ,  Iodine Solvents: Dimethylformamide ;  3 h, rt
1.2 Reagents: Sodium sulfite Solvents: Water
Reference
Preparation of indazole ester compound for pharmaceutical use
, China, , ,

Production Method 2

Reaction Conditions
1.1 Reagents: N-Iodosuccinimide Solvents: Dimethylformamide ;  12 h, rt
Reference
Indazole derivatives as inhibitors of SARM1 and their preparation
, World Intellectual Property Organization, , ,

Methyl 3-iodo-1H-indazole-7-carboxylate Raw materials

Methyl 3-iodo-1H-indazole-7-carboxylate Preparation Products

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