Cas no 166104-20-7 (tert-butyl 5-amino-1H-indole-1-carboxylate)

Tert-butyl 5-amino-1H-indole-1-carboxylate is a protected indole derivative featuring a Boc (tert-butoxycarbonyl) group at the 1-position and an amino substituent at the 5-position. This compound serves as a versatile intermediate in organic synthesis, particularly in pharmaceutical and agrochemical research. The Boc group enhances stability, facilitating handling and storage, while the free amino group allows for further functionalization through coupling or derivatization reactions. Its structural features make it valuable for constructing complex heterocyclic frameworks. The compound is typically used under controlled conditions, and its purity is critical for achieving high yields in downstream applications. Proper handling requires standard laboratory safety precautions.
tert-butyl 5-amino-1H-indole-1-carboxylate structure
166104-20-7 structure
Product Name:tert-butyl 5-amino-1H-indole-1-carboxylate
CAS No:166104-20-7
MF:C13H16N2O2
MW:232.278343200684
MDL:MFCD04114746
CID:65743
PubChem ID:11593831
Update Time:2025-10-12

tert-butyl 5-amino-1H-indole-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • 1-Boc-5-Aminoindole
    • 5-Amino-indole-1-carboxylic acid tert-butyl ester
    • tert-butyl 5-aminoindole-1-carboxylate
    • N-Boc-5-Aminoindole
    • 5-AMINOINDOLE-1-BOC
    • 5-AMINO-1-BOC-BENZIMIDAZOLE
    • 5-AMINO-1-BOC-BENZOIMIDAZOLE
    • 5-Aminoindole, N1-BOC protected
    • 5-Amino-1H-indole, N1-BOC protected
    • tert-butyl 5-amino-1H-indole-1-carboxylate
    • 1H-INDOLE-1-CARBOXYLIC ACID, 5-AMINO-, 1,1-DIMETHYLETHYL ESTER
    • zlchem 676
    • PubChem15862
    • 1-Boc- 5-aminoindole
    • 5-Amino-1-Boc-indole
    • Jsp003340
    • ZLD0128
    • KYCVRKPFNLCHLL-UHFFFAOYSA-N
    • tert-butyl 5-aminoindolecarboxylate
    • BCP28305
    • 1-Boc-5-amino-indole
    • J-010258
    • SY039928
    • SCHEMBL312329
    • EN300-749073
    • FT-0643593
    • 166104-20-7
    • A810695
    • MFCD04114746
    • AS-14902
    • AKOS015854633
    • AB18898
    • AC-133
    • CS-W018798
    • DTXSID00469138
    • DB-005689
    • MDL： MFCD04114746
    • Inchi： 1S/C13H16N2O2/c1-13(2,3)17-12(16)15-7-6-9-8-10(14)4-5-11(9)15/h4-8H,14H2,1-3H3
    • InChI Key： KYCVRKPFNLCHLL-UHFFFAOYSA-N
    • SMILES： O(C(N1C=CC2C=C(C=CC1=2)N)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 232.12100
  • Monoisotopic Mass: 232.121177757g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 298
  • 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: 57.2
  • XLogP3: 2.6

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.1±0.1 g/cm3
  • Melting Point: No data available
  • Boiling Point: 384.1°C at 760 mmHg
  • Flash Point: 113.1±19.9 °C
  • Refractive Index: 1.572
  • PSA: 57.25000
  • LogP: 3.58790
  • Vapor Pressure: 0.0±0.5 mmHg at 25°C

tert-butyl 5-amino-1H-indole-1-carboxylate Security Information

tert-butyl 5-amino-1H-indole-1-carboxylate Customs Data

  • HS CODE：2933990090
  • Customs Data：

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

tert-butyl 5-amino-1H-indole-1-carboxylate Pricemore >>

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tert-butyl 5-amino-1H-indole-1-carboxylate Production Method

tert-butyl 5-amino-1H-indole-1-carboxylate Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:166104-20-7)tert-butyl 5-amino-1H-indole-1-carboxylate
Order Number:A810695
Stock Status:in Stock
Quantity:25g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 04:53
Price ($):323.0

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Amadis Chemical Company Limited
(CAS:166104-20-7)tert-butyl 5-amino-1H-indole-1-carboxylate
A810695
Purity:99%
Quantity:25g
Price ($):323.0
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