597540-62-0

Basic information

• Product Name: 1-Azacyclopropa[cd]pentalene-4a(1H)-carboxylicacid,hexahydro-2-oxo-,methylester,(2aR,2bR,4aS,4bS)-(9CI)
• Synonyms: 1-Azacyclopropa[cd]pentalene-4a(1H)-carboxylicacid,hexahydro-2-oxo-,methylester,(2aR,2bR,4aS,4bS)-(9CI)
• CAS NO: 597540-62-0
• Molecular Formula: C₉H₁₁NO₃
• Molecular Weight: 181.19
• Product Categories: PYRROLE
• Mol File: 597540-62-0.mol

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 1-Azacyclopropa[cd]pentalene-4a(1H)-carboxylicacid,hexahydro-2-oxo-,methylester,(2aR,2bR,4aS,4bS)-(9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Azacyclopropa[cd]pentalene-4a(1H)-carboxylicacid,hexahydro-2-oxo-,methylester,(2aR,2bR,4aS,4bS)-(9CI)(597540-62-0)
• EPA Substance Registry System: 1-Azacyclopropa[cd]pentalene-4a(1H)-carboxylicacid,hexahydro-2-oxo-,methylester,(2aR,2bR,4aS,4bS)-(9CI)(597540-62-0)

Safety Data

• Hazardous Substances Data: 597540-62-0(Hazardous Substances Data)

Usage

Molecular Structure

Cyclic compound with a six-membered ring, nitrogen atom, carboxylic acid functional group, methyl ester group, and ketone functional group.

Explanation

The compound's structure consists of a six-membered ring with a nitrogen atom incorporated into it. It also contains a carboxylic acid group (-COOH), a methyl ester group (-COOCH3), and a ketone group (C=O).

Explanation

The stereochemistry of the compound is described by the (2aR,2bR,4aS,4bS) designation, which indicates the specific arrangement of atoms and groups in the molecule. The "R" and "S" notations represent the configuration of the chiral centers in the molecule.

Explanation

Due to its intricate structure and functional groups, this chemical compound may have potential applications in various fields, such as the development of new drugs in the pharmaceutical industry or the creation of novel materials in materials science.

Explanation

The compound is considered a complex organic compound due to its unique molecular structure, which includes a cyclic arrangement of atoms, multiple functional groups, and stereochemistry.

Explanation

The IUPAC name provides a systematic way to name organic compounds based on their structure. In this case, the name describes the compound's core structure (1-Azacyclopropa[cd]pentalene), the presence of a carboxylic acid group, the number of hydrogen atoms, the oxidation state of the compound, and the stereochemistry.

Stereochemistry

(2aR,2bR,4aS,4bS)-(9CI)

Functional Groups

Carboxylic acid, methyl ester, and ketone.

Potential Applications

Pharmaceuticals, materials science, or other fields.

Complexity

Complex organic compound.

Upstream product

• 597540-60-8 (2aR,2bR,4aS,4bS)-1-(4-Methoxy-benzyl)-2-oxo-hexahydro-1-aza-cyclopropa[cd]pentalene-4a-carboxylic acid methyl ester 

Downstream Products

• 176199-49-8 (1S,2S,5R,6R)-2-Amino-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid 
• 176199-48-7 eglumetad 

Relevant articles and documents

Stereocontrolled synthesis of a potent agonist of group II metabotropic glutamate receptors, (+)-LY354740, and its related derivatives

Efficient synthesis of (+)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid (LY354740: 1) and its structurally related analogs (-)-2 and (-)-3 has been accomplished starting with (1S,2R)-1-amino-2-hydroxycyclopentane- or cyclohexanecarboxylic acid (4 or 17 ) via an intramolecular cyclopropanation of α-diazo acetamide.