518107

tert-Butyl 1-indolecarboxylate

97%

• Synonym(s): 1-(tert-Butoxycarbonyl)indole, 1-Indolecarboxylic acid tert-butyl ester, N-tert-Butoxycarbonylindole, N-Butyloxycarbonylindole
• Empirical Formula (Hill Notation): C₁₃H₁₅NO₂
• CAS Number: 75400-67-8
• Molecular Weight: 217.26
• MDL number: MFCD02093939
• UNSPSC Code: 12352100
• PubChem Substance ID: 24874000
• NACRES: NA.22

Properties

• Assay: 97%
• refractive index: n20/D 1.543 (lit.)
• bp: 201 °C (lit.)
• density: 1.07 g/mL at 25 °C (lit.)
• SMILES string: CC(C)(C)OC(=O)n1ccc2ccccc12
• 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
• InChI key: OWPIFQXNMLDXKW-UHFFFAOYSA-N

Description

Application

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

Safety Information

• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 3
• Flash Point(F): 160.0 °F - closed cup
• Flash Point(C): 71.1 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves