(3R)-2-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid(CAS: 115962-35-1)
![(3R)-2-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid (3R)-2-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid](https://static.chemtradehub.com/structs/115/115962-35-1-4d26.webp)
CAS Number
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Basic Information
Molecular Formula
C15H19NO4
Molecular Weight
277.32 g/mol
Physical Properties
Melting Point
122-123 ºC
Boiling Point
420.18°C (rough estimate)
Flash Point
218.5°C
Chemical Identifiers
SMILES
CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)O
InChIKey
HFPVZPNLMJDJFB-GFCCVEGCSA-N
Database References
MDL Number
MFCD00143818
FAQ
(3R)-2-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid is a white crystalline solid with a molecular weight of approximately 318.37 g/mol. It is slightly soluble in water and more soluble in organic solvents. This compound is relatively stable but can react with bases and acids. It exhibits a pKa of about 4.5.
(3R)-2-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid can be synthesized via a multistep process involving the protection of the hydroxyl group, followed by the introduction of the carbonyl group. The reaction is typically catalyzed by a mild acid and proceeds with high selectivity and good yield. Detailed synthesis protocols can be found in the literature.
(3R)-2-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid is primarily used in the pharmaceutical industry for the development of novel drug candidates. It may also find applications in the polymer and sensor industries, although more research is needed to explore its full potential in these areas.
When handling (3R)-2-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid, it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Ensure that the work is conducted in a well-ventilated area or a fume hood. Spills should be cleaned up immediately using appropriate absorbents. Always refer to the Safety Data Sheet (SDS) for specific handling and disposal instructions.
Safety Notice
Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.
Always follow proper handling procedures
Contact Information
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021-50706099
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