Cas no 819850-13-0 (tert-Butyl 1H-indol-4-ylcarbamate)

tert-Butyl 1H-indol-4-ylcarbamate structure
819850-13-0 structure
Product Name:tert-Butyl 1H-indol-4-ylcarbamate
CAS No:819850-13-0
MF:C13H16N2O2
MW:232.278343200684
MDL:MFCD04973303
CID:721155
PubChem ID:40427167
Update Time:2024-12-09

tert-Butyl 1H-indol-4-ylcarbamate Chemical and Physical Properties

Names and Identifiers

    • tert-Butyl 1H-indol-4-ylcarbamate
    • (1H-Indol-4-yl)-Carbamic Acid tert-butyl ester
    • Carbamic acid,1H-indol-4-yl-, 1,1-dimethylethyl ester (9CI)
    • tert-butyl N-(1H-indol-4-yl)carbamate
    • 1,1-Dimethylethyl N-1H-indol-4-ylcarbamate (ACI)
    • Carbamic acid, 1H-indol-4-yl-, 1,1-dimethylethyl ester (9CI)
    • tert-butyl1H-indol-4-ylcarbamate
    • s11755
    • MFCD04973303
    • 819850-13-0
    • SR-01000946762-1
    • 4-(Boc-amino)1H-indole
    • AS-70807
    • PD020354
    • (1-H-INDOL-4-YL)CARBAMIC ACID TERT-BUTYL ESTER
    • (1H-Indol-4-yl)-carbamic acid-tert-butyl ester
    • SCHEMBL14185150
    • CS-0187663
    • SR-01000946762
    • HMS3650C03
    • tert-butyl (1H-indol-4-yl)carbamate
    • AKOS005255156
    • DTXSID20654261
    • MDL： MFCD04973303
    • Inchi： 1S/C13H16N2O2/c1-13(2,3)17-12(16)15-11-6-4-5-10-9(11)7-8-14-10/h4-8,14H,1-3H3,(H,15,16)
    • InChI Key： KOKLMCWYZCHYEO-UHFFFAOYSA-N
    • SMILES： O=C(NC1C2=C(NC=C2)C=CC=1)OC(C)(C)C

Computed Properties

  • Exact Mass: 232.12100
  • Monoisotopic Mass: 232.121
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 286
  • 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: 54.1A^2
  • XLogP3: 2.6

Experimental Properties

  • Density: 1.216
  • Boiling Point: 350.4°C at 760 mmHg
  • Flash Point: 165.7°C
  • Refractive Index: 1.635
  • PSA: 54.12000
  • LogP: 3.58790

tert-Butyl 1H-indol-4-ylcarbamate Security Information

tert-Butyl 1H-indol-4-ylcarbamate 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 1H-indol-4-ylcarbamate Pricemore >>

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tert-Butyl 1H-indol-4-ylcarbamate Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Triethylamine Solvents: tert-Butanol
Reference
Approaches to the synthesis of teleocidins A and B
Porter, Roderick Alan, 1982, , ,

Production Method 2

Reaction Conditions
1.1 Catalysts: 1,8-Diazabicyclo[5.4.0]undec-7-ene Solvents: Acetonitrile ;  1 - 2 h, rt
Reference
Chemoselective N-Acylation of Indoles and Oxazolidinones with Carbonylazoles
Heller, Stephen T.; Schultz, Erica E.; Sarpong, Richmond, Angewandte Chemie, 2012, 51(33), 8304-8308

tert-Butyl 1H-indol-4-ylcarbamate Raw materials

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