688790-06-9

Basic information

• Product Name: exo-7-(tert-butoxycarbonyl)-7-aza-bicyclo[2.2.1]heptane-2-carboxylic acid methyl ester racemate
• Synonyms: exo-7-(tert-butoxycarbonyl)-7-aza-bicyclo[2.2.1]heptane-2-carboxylic acid methyl ester racemate;7-tert-Butyl 2-methyl 7-azabicyclo[2.2.1]heptane-2,7-dicarboxylate
• CAS NO: 688790-06-9
• Molecular Formula: C13H21NO4
• Molecular Weight: 255.31014
• EINECS: -0
• Mol File: 688790-06-9.mol

Chemical Properties

• Boiling Point: 323.5±25.0 °C(Predicted)
• Appearance: /
• Density: 1.154±0.06 g/cm3(Predicted)
• PKA: -2.19±0.40(Predicted)
• CAS DataBase Reference: exo-7-(tert-butoxycarbonyl)-7-aza-bicyclo[2.2.1]heptane-2-carboxylic acid methyl ester racemate(CAS DataBase Reference)
• NIST Chemistry Reference: exo-7-(tert-butoxycarbonyl)-7-aza-bicyclo[2.2.1]heptane-2-carboxylic acid methyl ester racemate(688790-06-9)
• EPA Substance Registry System: exo-7-(tert-butoxycarbonyl)-7-aza-bicyclo[2.2.1]heptane-2-carboxylic acid methyl ester racemate(688790-06-9)

Safety Data

• Hazardous Substances Data: 688790-06-9(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
Exo-7-(tert-butoxycarbonyl)-7-aza-bicyclo[2.2.1]heptane-2-carboxylic acid methyl ester racemate serves as a key building block in the synthesis of various pharmaceuticals. Its racemic nature allows for the exploration of different biological activities and selectivity of the compound in drug development, potentially leading to more effective and targeted therapeutic agents.
Used in Agrochemical Industry:
In the agrochemical sector, exo-7-(tert-butoxycarbonyl)-7-aza-bicyclo[2.2.1]heptane-2-carboxylic acid methyl ester racemate is utilized for the preparation of biologically active molecules that can be employed in pest control and crop protection. The racemic form provides a broader scope for the discovery of novel agrochemicals with improved efficacy and selectivity.
Used in Organic Synthesis:
Exo-7-(tert-butoxycarbonyl)-7-aza-bicyclo[2.2.1]heptane-2-carboxylic acid methyl ester racemate is used as a versatile intermediate in organic synthesis for the preparation of a wide range of chemical compounds. Its unique structural features and functional groups make it a valuable component in the synthesis of complex organic molecules with potential applications in various industries.

Upstream product

• 181873-33-6 3-bromo-7-aza-bicyclo[2.2.1]hepta-2,5-diene-2,7-dicarboxylic acid 7-tert-butyl ester 2-methyl ester 
• 502506-71-0 7-tert-butyl 2-ethyl 3-bromo-7-azabicyclo[2.2.1]hepta-2,5-diene-2,7-dicarboxylate 

Relevant articles and documents

A New Lead Identification Strategy: Screening an sp3-rich and Lead-like Compound Library Composed of 7-Azanorbornane Derivatives

Although the advantages of sp3-rich, sterically complicated molecules in drug development have been pointed out, modern screening libraries are filled with planar, sp2-rich components. Compounds that are sp3-rich are difficult to synthesize, and thus we aimed to invent an efficient method to construct sp3-rich libraries. By modifying sp3-rich 7-azanorbornane scaffolds through click chemistry, we efficiently prepared a small set of compounds. These compounds were not only sp3-rich, but also had sufficient “lead-like” properties in view of molecular weights and hydrophobicity. Screening assays of this library provided weak κ opioid receptor agonists and growth hormone secretagogue receptor agonists with high hit rates. These results indicate that the 7-azanorbornane scaffold may be a “privileged structure” for lead identification in drug discovery.

BENZIMIDAZOLE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF

Provided herein are compounds of the formulas (I) and (II): as well as pharmaceutically acceptable salts thereof, wherein the substituents are as those disclosed in the specification. These compounds, and the pharmaceutical compositions containing them, are useful for the treatment of Retinoic Acid Receptor-Related Orphan Receptor regulated diseases and disorders.