ChemicalBook--->CAS DataBase List--->75400-67-8

75400-67-8

75400-67-8 Structure

75400-67-8 Structure
IdentificationMore
[Name]

1-BOC-INDOLE
[CAS]

75400-67-8
[Synonyms]

1-BOC-INDOLE
1-(TERT-BUTOXYCARBONYL)INDOLE
INDOLE, BOC PROTECTED
TERT-BUTYL 1H-INDOLE-1-CARBOXYLATE
TERT-BUTYL 1-INDOLECARBOXYLATE
Indole, N-BOC protected
Indole, N-BOC protected 98%
N-BOC INDOLE
[EINECS(EC#)]

806-633-6
[Molecular Formula]

C13H15NO2
[MDL Number]

MFCD02093939
[Molecular Weight]

217.26
[MOL File]

75400-67-8.mol
Chemical PropertiesBack Directory
[Melting point ]

24-26
[Boiling point ]

201 °C(lit.)
[density ]

1.07 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.543(lit.)
[Fp ]

160 °F
[storage temp. ]

Keep Cold
[form ]

liquid
[color ]

Yellow
[Specific Gravity]

1.070
[BRN ]

4674239
[InChI]

InChI=1S/C13H15NO2/c1-13(2,3)16-12(15)14-9-8-10-6-4-5-7-11(10)14/h4-9H,1-3H3
[InChIKey]

OWPIFQXNMLDXKW-UHFFFAOYSA-N
[SMILES]

N1(C(OC(C)(C)C)=O)C2=C(C=CC=C2)C=C1
[CAS DataBase Reference]

75400-67-8(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[Hazard Note ]

Irritant/Keep Cold
[HazardClass ]

IRRITANT, KEEP COLD
[HS Code ]

2933998090
Hazard InformationBack Directory
[Uses]

Reactant for preparation of:
  • Potent plant-growth inhibitors
  • Cannabinoid CB2 receptor ligands
  • Analogues of isomeridianin G and evaluation as GSK-3β inhibitors
  • Inhibitor of the Yersinia pestis salicylate adenylation domain YbtE
  • Cholecystokinin-2 receptor antagonists
  • Antileishmanial agents

  • Reactant for:
  • Palladium-catalyzed Suzuki-Miyaura cross coupling reactions
  • Friedel-Crafts alkylation reactions
[Synthesis Reference(s)]

Tetrahedron Letters, 43, p. 4115, 2002 DOI: 10.1016/S0040-4039(02)00696-2
Spectrum DetailBack Directory
[Spectrum Detail]

1-BOC-INDOLE(75400-67-8)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

1-Boc-indole, 97%(75400-67-8)
[Sigma Aldrich]

75400-67-8(sigmaaldrich)
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