Cas no 957204-30-7 (tert-butyl 6-hydroxy-2,3-dihydro-1H-indole-1-carboxylate)

tert-butyl 6-hydroxy-2,3-dihydro-1H-indole-1-carboxylate structure
957204-30-7 structure
Product Name:tert-butyl 6-hydroxy-2,3-dihydro-1H-indole-1-carboxylate
CAS No:957204-30-7
MF:C13H17NO3
MW:235.278983831406
MDL:MFCD11045243
CID:1006411
Update Time:2023-11-20

tert-butyl 6-hydroxy-2,3-dihydro-1H-indole-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • tert-Butyl 6-hydroxyindoline-1-carboxylate
    • 1H-INDOLE-1-CARBOXYLIC ACID,2,3-DIHYDRO-6-HYDROXY-,1,1-DIMETHYLETHYL ESTER
    • TERT-BUTYL 6-HYDROXY-2,3-DIHYDRO-1H-INDOLE-1-CARBOXYLATE
    • tert-butyl 6-hydroxy-2,3-dihydroindole-1-carboxylate
    • AK140129
    • SXNCTPYZLPTVSQ-UHFFFAOYSA-N
    • FCH1627870
    • OR305478
    • 1-(tert-Butoxycarbonyl)-6-hydroxyindoline
    • ST2419975
    • AB0063406
    • AX8281001
    • Z5411
    • A845440
    • tert-butyl 6-oxidanyl-2,3-dihydroindole-1-carboxylate
    • 6-hydroxy-2,3-dihydroi
    • 1,1-Dimethylethyl 2,3-dihydro-6-hydroxy-1H-indole-1-carboxylate (ACI)
    • tert-butyl 6-hydroxy-2,3-dihydro-1H-indole-1-carboxylate
    • MDL: MFCD11045243
    • Inchi: 1S/C13H17NO3/c1-13(2,3)17-12(16)14-7-6-9-4-5-10(15)8-11(9)14/h4-5,8,15H,6-7H2,1-3H3
    • InChI Key: SXNCTPYZLPTVSQ-UHFFFAOYSA-N
    • SMILES: O=C(N1CCC2C1=CC(=CC=2)O)OC(C)(C)C

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 298
  • Topological Polar Surface Area: 49.8

tert-butyl 6-hydroxy-2,3-dihydro-1H-indole-1-carboxylate Pricemore >>

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abcr
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tert-Butyl 6-hydroxyindoline-1-carboxylate; .
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tert-butyl 6-hydroxy-2,3-dihydro-1H-indole-1-carboxylate Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol ;  4 h, rt
Reference
Phthalazinones and isoquinolinones as ROCK inhibitors
, World Intellectual Property Organization, , ,

Production Method 2

Reaction Conditions
1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Isopropanol ,  Hexane ,  Ethyl acetate ;  14 h, 23 °C
Reference
Indolyne Experimental and Computational Studies: Synthetic Applications and Origins of Selectivities of Nucleophilic Additions
Im, G.-Yoon J.; Bronner, Sarah M.; Goetz, Adam E.; Paton, Robert S.; Cheong, Paul H.-Y.; et al, Journal of the American Chemical Society, 2010, 132(50), 17933-17944

Production Method 3

Reaction Conditions
1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Ethanol ;  1 d, rt
Reference
Preparation of heteroarylamide derivatives as immunosuppressants with S1P agonist activity
, Japan, , ,

tert-butyl 6-hydroxy-2,3-dihydro-1H-indole-1-carboxylate Raw materials

tert-butyl 6-hydroxy-2,3-dihydro-1H-indole-1-carboxylate Preparation Products

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