Cas no 186096-30-0 (1-[(Tert-butoxy)carbonyl]-octahydro-1H-indole-2-carboxylic acid)

1-[(Tert-butoxy)carbonyl]-octahydro-1H-indole-2-carboxylic acid is a protected indoline derivative widely used in organic synthesis and pharmaceutical research. Its key advantages include the presence of a Boc (tert-butoxycarbonyl) protecting group, which enhances stability under various reaction conditions while allowing selective deprotection under mild acidic conditions. The octahydro-1H-indole scaffold provides a rigid, saturated framework, making it valuable for constructing complex heterocyclic compounds. The carboxylic acid moiety offers versatility for further functionalization via amidation, esterification, or other coupling reactions. This compound is particularly useful in peptidomimetics and medicinal chemistry applications, where controlled reactivity and structural diversity are critical. Its high purity and well-defined stereochemistry further contribute to its utility in precision synthesis.
1-[(Tert-butoxy)carbonyl]-octahydro-1H-indole-2-carboxylic acid structure
186096-30-0 structure
Product Name:1-[(Tert-butoxy)carbonyl]-octahydro-1H-indole-2-carboxylic acid
CAS No:186096-30-0
MF:C14H23NO4
MW:269.33672451973
MDL:MFCD00191189
CID:1379686
PubChem ID:17040146
Update Time:2025-06-07

1-[(Tert-butoxy)carbonyl]-octahydro-1H-indole-2-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1H-Indole-1,2-dicarboxylic acid, octahydro-, 1-(1,1-dimethylethyl) ester,(2S)-
    • (2S)-1-(tert-Butoxycarbonyl)octahydro-1H-indole-2-carboxylic acid
    • 1-[(tert-butoxy)carbonyl]-octahydro-1H-indole-2-carboxylic acid
    • 1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic Acid
    • Boc-Oic-OH;(2S,3aS,7aS)-1-Boc-octahydro-1H-indole-2-carboxylic acid
    • 1-(tert-Butoxycarbonyl)octahydro-1H-indole-2-carboxylic acid
    • BOC-OIC-OH
    • N-BOC-L-Octahydroindole-2-carboxylic acid
    • 1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
    • SC
    • (2s)-1-(tert-butoxycarbonyl)octahydro-1h-indole-2-carboxylicacid
    • Boc-L-Octahydroindole-2-carboxylic acid
    • (2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
    • POJYGQHOQQDGQZ-ILDUYXDCSA-N
    • 186096-30-0
    • SCHEMBL1850656
    • PS-12434
    • 1H-Indole-1,2-dicarboxylicacid,octahydro-,1-(1,1-dimethylethyl)ester,(2s,3as,7as)-
    • CS-WAA0123
    • boc-oic-oh, AldrichCPR
    • [1-tert-butoxycarbonyl-(2S)-octahydroindolyl]carboxylic acid
    • 1H-Indole-1,2-dicarboxylic acid, octahydro-, 1-(1,1-dimethylethyl) ester, (2S)-
    • AKOS015948860
    • CS-0035026
    • MFCD00191189
    • (1-tert-butoxycarbonyl-(2S)-octahydroindolyl)carboxylic acid
    • 1-[(Tert-butoxy)carbonyl]-octahydro-1H-indole-2-carboxylic acid
    • MDL： MFCD00191189
    • Inchi： 1S/C14H23NO4/c1-14(2,3)19-13(18)15-10-7-5-4-6-9(10)8-11(15)12(16)17/h9-11H,4-8H2,1-3H3,(H,16,17)/t9?,10?,11-/m0/s1
    • InChI Key： POJYGQHOQQDGQZ-ILDUYXDCSA-N
    • SMILES： O(C(C)(C)C)C(N1[C@H](C(=O)O)CC2CCCCC12)=O

Computed Properties

  • Exact Mass: 269.16270821 g/mol
  • Monoisotopic Mass: 269.16270821 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 3
  • Complexity: 374
  • 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
  • Molecular Weight: 269.34
  • XLogP3: 2.6
  • Topological Polar Surface Area: 66.8

1-[(Tert-butoxy)carbonyl]-octahydro-1H-indole-2-carboxylic acid Pricemore >>

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