(3S)-2-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid(CAS: 78879-20-6)
![(3S)-2-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid (3S)-2-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid](https://static.chemtradehub.com/structs/788/78879-20-6-c93d.webp)
CAS Number
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Other Suppliers for (3S)-2-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid
Basic Information
Molecular Formula
C15H19NO4
Molecular Weight
277.32 g/mol
Physical State
White to Yellow Solid
Physical Properties
Melting Point
129.0 to 133.0 deg-C
Boiling Point
266.6℃ at 760 mmHg
Density
1.1311 (rough estimate)
Flash Point
218.5℃
Chemical Identifiers
SMILES
CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)O
InChIKey
HFPVZPNLMJDJFB-LBPRGKRZSA-N
Database References
MDL Number
MFCD00143845
FAQ
(3S)-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 274.38 g/mol. It has a pKa of about 5.8 and is slightly soluble in water. The compound is reactive towards nucleophiles and can undergo esterification and nucleophilic substitution reactions. It is stable under acidic and neutral conditions but should be stored in a dry, cool place to prevent hydrolysis.
(3S)-2-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid is synthesized via a multi-step process involving the protection of the isoquinoline ring, followed by the introduction of the 2-methyl-2-propanol moiety, and finally deprotection. Commonly used reagents include methyl 2-hydroxyacetate and 2,3-dimethyl-1,3-dioxolane. The overall yield is around 70%, and the reaction is performed under mild conditions to ensure selectivity.
(3S)-2-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid is used in the pharmaceutical industry for the synthesis of complex organic molecules and potential drug candidates. It is also utilized in the polymer industry as a monomer for the development of new materials with specific properties. Additionally, it finds applications in the sensor industry for the development of chemical sensors due to its reactivity and stability.
Proper handling of (3S)-2-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid requires the use of personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a closed container in a cool, dry place to prevent hydrolysis. In case of spill, it should be carefully cleaned up using appropriate chemicals and disposal methods. Always consult the safety data sheet (SDS) for detailed handling and disposal information.
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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