Cas no 253136-30-0 (1-(tert-butoxy)carbonyl-decahydroquinoline-2-carboxylic acid)

1-(tert-Butoxy)carbonyl-decahydroquinoline-2-carboxylic acid is a protected derivative of decahydroquinoline-2-carboxylic acid, featuring a tert-butoxycarbonyl (Boc) group at the nitrogen position. This compound is primarily utilized in peptide synthesis and medicinal chemistry as an intermediate, offering enhanced stability and selectivity during reactions. The Boc group serves as a robust protecting group, enabling controlled deprotection under mild acidic conditions without disrupting other functional groups. Its rigid decahydroquinoline scaffold contributes to conformational constraints, making it valuable for designing bioactive molecules. The carboxylic acid moiety further allows for versatile derivatization, facilitating its integration into complex molecular architectures. This compound is particularly useful in applications requiring precise stereochemical control.
1-(tert-butoxy)carbonyl-decahydroquinoline-2-carboxylic acid structure
253136-30-0 structure
Product Name:1-(tert-butoxy)carbonyl-decahydroquinoline-2-carboxylic acid
CAS No:253136-30-0
MF:C15H25NO4
MW:283.363304853439
MDL:MFCD21776307
CID:1422309
PubChem ID:19823206
Update Time:2025-05-28

1-(tert-butoxy)carbonyl-decahydroquinoline-2-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1,2(2H)-Quinolinedicarboxylic acid, octahydro-, 1-(1,1-dimethylethyl)ester
    • 1-(tert-butoxy)carbonyl-decahydroquinoline-2-carboxylic acid
    • 253136-30-0
    • DTXSID201179575
    • 1-(1,1-Dimethylethyl) octahydro-1,2(2H)-quinolinedicarboxylate
    • 1-[(tert-butoxy)carbonyl]-decahydroquinoline-2-carboxylic acid
    • AKOS015815525
    • EN300-96564
    • starbld0026060
    • 1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-2-carboxylic acid
    • SCHEMBL9819883
    • 1-(tert-Butoxycarbonyl)decahydroquinoline-2-carboxylic acid
    • MDL: MFCD21776307
    • Inchi: 1S/C15H25NO4/c1-15(2,3)20-14(19)16-11-7-5-4-6-10(11)8-9-12(16)13(17)18/h10-12H,4-9H2,1-3H3,(H,17,18)
    • InChI Key: GHHISGFNVINWNL-UHFFFAOYSA-N
    • SMILES: O(C(C)(C)C)C(N1C(C(=O)O)CCC2CCCCC12)=O

Computed Properties

  • Exact Mass: 283.17845
  • Monoisotopic Mass: 283.17835828g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 3
  • Complexity: 388
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 3
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.9
  • Topological Polar Surface Area: 66.8?2

Experimental Properties

  • PSA: 66.84

1-(tert-butoxy)carbonyl-decahydroquinoline-2-carboxylic acid Pricemore >>

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