630103-79-6

Basic information

• Product Name: 1H-Indene-4-carboxylicacid,octahydro-7-oxo-,methylester,(3aS,4S,7aS)-(9CI)
• Synonyms: 1H-Indene-4-carboxylicacid,octahydro-7-oxo-,methylester,(3aS,4S,7aS)-(9CI)
• CAS NO: 630103-79-6
• Molecular Formula: C11H16O3
• Molecular Weight: 196.24
• Product Categories: CYCLOPENTANE
• Mol File: 630103-79-6.mol

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 1H-Indene-4-carboxylicacid,octahydro-7-oxo-,methylester,(3aS,4S,7aS)-(9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-Indene-4-carboxylicacid,octahydro-7-oxo-,methylester,(3aS,4S,7aS)-(9CI)(630103-79-6)
• EPA Substance Registry System: 1H-Indene-4-carboxylicacid,octahydro-7-oxo-,methylester,(3aS,4S,7aS)-(9CI)(630103-79-6)

Safety Data

• Hazardous Substances Data: 630103-79-6(Hazardous Substances Data)

Usage

Explanation

The compound is composed of 15 carbon atoms, 20 hydrogen atoms, and 3 oxygen atoms.

Explanation

The molecular weight is calculated based on the atomic weights of the constituent elements (C, H, and O).

Explanation

The compound has a core structure of an atrene with a carboxylic acid group (-COOH) attached to the 4-position and a methyl ester group (-COOCH3) attached to the 1-position.

Explanation

The stereochemistry of the compound is defined by the (3aS,4S,7aS) configuration, which indicates the spatial arrangement of the substituents on the molecule.

Explanation

The compound is a solid at room temperature, which is typical for many organic compounds with similar molecular weights and structures.

Explanation

Due to the nonpolar nature of the compound, it does not dissolve well in water but dissolves in organic solvents such as ethanol, methanol, and dichloromethane.

Explanation

The compound contains a carboxylic acid group, a methyl ester group, and an atrene core, which contribute to its chemical reactivity and potential applications.

Explanation

The compound can be used as a building block in the synthesis of various pharmaceuticals and fine chemicals due to its unique structure and properties.

Explanation

The specific stereoisomeric form of the compound, (3aS,4S,7aS), may have potential applications in medicinal chemistry and drug discovery due to its unique structure and biological activity.

Explanation

The compound is generally stable under normal conditions, but it may be sensitive to heat, light, or other factors that could affect its stability. Proper storage and handling are necessary to maintain its integrity.

Molecular weight

248.31 g/mol

Structure

Atrane core with a carboxylic acid group and a methyl ester group

Stereochemistry

(3aS,4S,7aS)

Physical state

Solid

Solubility

Insoluble in water, soluble in organic solvents

Functional groups

Carboxylic acid, methyl ester, and atrene core

Use in organic synthesis

Building block for pharmaceuticals and fine chemicals

Potential applications

Medicinal chemistry and drug discovery

Stability

Stable under normal conditions

Upstream product

• 630103-89-8 8-oxo-deca-2,9-dienoic acid methyl ester 
• 630103-88-7 8-hydroxy-deca-2,9-dienoic acid methyl ester 
• 115234-40-7 trans-methyl 8,8-dimethoxy-2-octenoate 
• 96293-27-5 (E)-8-oxooct-2-enoic acid methyl ester 
• 55489-11-7 6,6-dimethoxyhexanal 
• 630103-77-4 (+)-(4S,3aS,7aS)-7-(tert-butyl-dimethylsilanyloxy)-2,3,3a,4,5,7a-hexahydro-1H-indene-4-carboxylic acid methyl ester 

Downstream Products

• 630103-80-9 (+)-(octahydro-inden-4-yl)methanol 

Relevant articles and documents

Useful Enantioselective Bicyclization Reactions Using an N-Protonated Chiral Oxazaborolidine as Catalyst

(Equation Presented) Nine examples are reported of enantioselective [4 + 2] cycloaddition reactions of achiral, acyclic substrates to form chiral bicyclo[4.3.0]-nonane or bicyclo[4.4.0]decane derivatives.