2-Methyl-2-propanyl 4-oxo-4,5,6,7-tetrahydro-1H-indole-1-carboxylate | CAS No. 877170-76-8

2-Methyl-2-propanyl 4-oxo-4,5,6,7-tetrahydro-1H-indole-1-carboxylate

Basic Information

CAS Number

877170-76-8

Molecular Formula

C13H17NO3

Molecular Weight

235.28 g/mol

AD

Basic Physical Properties

Melting Point

79-80℃

Density

1.17

CC(C)(C)OC(=O)n1ccc2C(=O)CCCc21

InChI

InChI=1S/C13H17NO3/c1-13(2,3)17-12(16)14-8-7-9-10(14)5-4-6-11(9)15/h7-8H,4-6H2,1-3H3

InChIKey

XRYXQDYFSBOZFJ-UHFFFAOYSA-N

LogP

2.790300000000001

Topological Polar Surface Area

48.3 Ų

Hydrogen Bond Donor/Acceptor

0 / 4

Synonyms & References

English

  • 4,5,6,7-Tetrahydro-4-oxo-1H-indole-1-carboxylic acid 1,1-dimethylethyl ester
  • tert-Butyl 4-oxo-4,5,6,7-tetrahydro-1H-indole-1-carboxylate
  • tert-butyl 4-oxo-4,5,6,7-tetrahydroindole-1-carboxylate
  • tert-butyl 4-oxo-6,7-dihydro-5H-indole-1-carboxylate
  • 1,1-Dimethylethyl 4,5,6,7-tetrahydro-4-oxo-1H-indole-1-carboxylate (ACI)

MDL Number

MFCD19440919

FAQ

What are the physical and chemical properties of 2-Methyl-2-propanyl 4-oxo-4,5,6,7-tetrahydro-1H-indole-1-carboxylate (CAS: 877170-76-8)?

2-Methyl-2-propanyl 4-oxo-4,5,6,7-tetrahydro-1H-indole-1-carboxylate is a crystalline solid with a molecular weight of approximately 233.27 g/mol. It has a low water solubility and is slightly soluble in common organic solvents. This compound is reactive and can undergo various transformations under specific conditions. It is stable at room temperature but should be stored away from moisture and heat.

How is 2-Methyl-2-propanyl 4-oxo-4,5,6,7-tetrahydro-1H-indole-1-carboxylate (CAS: 877170-76-8) typically synthesized?

2-Methyl-2-propanyl 4-oxo-4,5,6,7-tetrahydro-1H-indole-1-carboxylate is typically synthesized through a multi-step process involving indole derivatization. A common approach involves the condensation of 4-oxo-4,5,6,7-tetrahydro-1H-indole-1-carboxylic acid with 2-methyl-2-propanol in the presence of a suitable catalyst such as a Lewis acid. The reaction yields the desired compound with good selectivity and yield.

What industries use 2-Methyl-2-propanyl 4-oxo-4,5,6,7-tetrahydro-1H-indole-1-carboxylate (CAS: 877170-76-8)?

2-Methyl-2-propanyl 4-oxo-4,5,6,7-tetrahydro-1H-indole-1-carboxylate is primarily used in the pharmaceutical industry as an intermediate for the synthesis of various drugs. It also finds applications in the polymer industry for the development of functionalized polymers and in the semiconductor industry for use in organic light-emitting diodes (OLEDs).

What precautions should be taken when handling 2-Methyl-2-propanyl 4-oxo-4,5,6,7-tetrahydro-1H-indole-1-carboxylate (CAS: 877170-76-8)?

When handling 2-Methyl-2-propanyl 4-oxo-4,5,6,7-tetrahydro-1H-indole-1-carboxylate, it is essential to wear personal protective equipment (PPE) including gloves, goggles, and a lab coat. The substance should be used in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up immediately with appropriate absorbents, and the material safety data sheet (MSDS) should be consulted for specific handling and disposal instructions.

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