Cas no 935269-27-5 (3-hydroxy-1H-isoindole-4-carboxylic acid)

3-hydroxy-1H-isoindole-4-carboxylic acid structure
935269-27-5 structure
Product Name:3-hydroxy-1H-isoindole-4-carboxylic acid
CAS No:935269-27-5
MF:C9H7NO3
MW:177.156782388687
MDL:MFCD11506114
CID:1039778
PubChem ID:44579994
Update Time:2024-10-26

3-hydroxy-1H-isoindole-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 2,3-dihydro-3-oxo-1H-Isoindole-4-carboxylic acid
    • 3-Oxoisoindoline-4-carboxylic acid
    • 3-oxo-1,2-dihydroisoindole-4-carboxylic acid
    • 3-Oxo-2,3-dihydro-1H-isoindole-4-carboxylic acid
    • 1H-Isoindole-4-carboxylic acid, 2,3-dihydro-3-oxo-
    • SONYZPKBPBFLSS-UHFFFAOYSA-N
    • 3-Oxo-4-isoindolinecarboxylic acid
    • FCH890919
    • 5877AC
    • BDBM50264659
    • OR305297
    • SY235534
    • ST24022972
    • 2,3-Dihydro-3-oxo-1H-isoindole-4-carboxylic acid (ACI)
    • 3-Oxoisoindoline-4-carboxylicacid
    • 3-hydroxy-1H-isoindole-4-carboxylic acid
    • 935269-27-5
    • CHEMBL505379
    • CS-0062203
    • SCHEMBL5338831
    • DS-3664
    • Y10068
    • DB-079603
    • AKOS006323136
    • Z1198323512
    • MFCD11506114
    • SB40069
    • DTXSID60659558
    • EN300-124506
    • MDL: MFCD11506114
    • Inchi: 1S/C9H7NO3/c11-8-7-5(4-10-8)2-1-3-6(7)9(12)13/h1-3H,4H2,(H,10,11)(H,12,13)
    • InChI Key: SONYZPKBPBFLSS-UHFFFAOYSA-N
    • SMILES: O=C(C1C2C(NCC=2C=CC=1)=O)O

Computed Properties

  • Exact Mass: 177.042593085g/mol
  • Monoisotopic Mass: 177.042593085g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 251
  • 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: 66.4
  • XLogP3: 0.3

3-hydroxy-1H-isoindole-4-carboxylic acid Security Information

  • Signal Word:Warning
  • Hazard Statement: H302
  • Warning Statement: P280-P305+P351+P338
  • Storage Condition:Sealed in dry,Room Temperature

3-hydroxy-1H-isoindole-4-carboxylic acid Pricemore >>

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3-hydroxy-1H-isoindole-4-carboxylic acid Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Lithium hydroxide Solvents: Methanol ,  Tetrahydrofuran ,  Water ;  25 °C
Reference
7-[1H-Indol-2-yl]-2,3-dihydro-isoindol-1-ones as dual Aurora-A/VEGF-R2 kinase inhibitors: Design, synthesis, and biological activity
Hughes, Terry V.; Emanuel, Stuart L.; O'Grady, Harold R.; Connolly, Peter J.; Rugg, Catherine; et al, Bioorganic & Medicinal Chemistry Letters, 2008, 18(18), 5130-5133

Production Method 2

Reaction Conditions
1.1 Reagents: Lithium hydroxide Solvents: Methanol ,  Tetrahydrofuran ,  Water ;  reflux
Reference
Substituted dihydroisoindolones, processes for preparing them, pharmaceutical compositions containing them, and their use as protein kinase inhibitors
, World Intellectual Property Organization, , ,

3-hydroxy-1H-isoindole-4-carboxylic acid Raw materials

3-hydroxy-1H-isoindole-4-carboxylic acid Preparation Products

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