104199-17-9

Basic information

• Product Name: [(1R,4aR,8S,8aR)-8-hydroxy-7-methoxy-8a-methyl-5-oxo-1,4,4a,5,8,8a-hexahydronaphthalen-1-yl]acetic acid
• CAS NO: 104199-17-9
• Molecular Formula: C₁₄H₁₈O₅
• Molecular Weight: 266.2897
• Mol File: 104199-17-9.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 496.7°C at 760 mmHg
• Flash Point: 189.2°C
• Density: 1.29g/cm³
• Vapor Pressure: 5.99E-12mmHg at 25°C
• Refractive Index: 1.567
• CAS DataBase Reference: [(1R,4aR,8S,8aR)-8-hydroxy-7-methoxy-8a-methyl-5-oxo-1,4,4a,5,8,8a-hexahydronaphthalen-1-yl]acetic acid(CAS DataBase Reference)
• NIST Chemistry Reference: [(1R,4aR,8S,8aR)-8-hydroxy-7-methoxy-8a-methyl-5-oxo-1,4,4a,5,8,8a-hexahydronaphthalen-1-yl]acetic acid(104199-17-9)
• EPA Substance Registry System: [(1R,4aR,8S,8aR)-8-hydroxy-7-methoxy-8a-methyl-5-oxo-1,4,4a,5,8,8a-hexahydronaphthalen-1-yl]acetic acid(104199-17-9)

Safety Data

• Hazardous Substances Data: 104199-17-9(Hazardous Substances Data)

Usage

Description

[(1R,4aR,8S,8aR)-8-hydroxy-7-methoxy-8a-methyl-5-oxo-1,4,4a,5,8,8a-hexahydronaphthalen-1-yl]acetic acid is a complex organic compound derived from naphthalene, featuring a hexahydronaphthalen-1-yl group with a carboxylic acid attachment, as well as hydroxy and methoxy functional groups. Its unique structure and properties make it a versatile molecule for various applications in medicinal chemistry, organic synthesis, and drug design.

Uses

Used in Medicinal Chemistry:
[(1R,4aR,8S,8aR)-8-hydroxy-7-methoxy-8a-methyl-5-oxo-1,4,4a,5,8,8a-hexahydronaphthalen-1-yl]acetic acid is used as a building block for the development of new pharmaceuticals due to its hexahydronaphthalen-1-yl group and functional groups, which can be exploited for the creation of novel drug candidates with potential therapeutic applications.
Used in Organic Synthesis:
In the field of organic synthesis, [(1R,4aR,8S,8aR)-8-hydroxy-7-methoxy-8a-methyl-5-oxo-1,4,4a,5,8,8a-hexahydronaphthalen-1-yl]acetic acid serves as a key intermediate for the synthesis of more complex organic molecules, taking advantage of its reactive functional groups and hydrophobic and hydrophilic properties.
Used in Drug Design:
The unique structure of [(1R,4aR,8S,8aR)-8-hydroxy-7-methoxy-8a-methyl-5-oxo-1,4,4a,5,8,8a-hexahydronaphthalen-1-yl]acetic acid makes it an interesting target for drug design, where it can be used as a template to develop new drugs with specific biological activities, potentially targeting various diseases and medical conditions.
Used in Research and Development:
Due to its distinctive chemical features, [(1R,4aR,8S,8aR)-8-hydroxy-7-methoxy-8a-methyl-5-oxo-1,4,4a,5,8,8a-hexahydronaphthalen-1-yl]acetic acid is also utilized in research and development for further exploration of its chemical properties, reactivity, and potential applications in various scientific and industrial fields.

Upstream product

• 104199-15-7 ((1R,4aR,8aR)-7-Methoxy-8a-methyl-5,8-dioxo-1,4,4a,5,8,8a-hexahydro-naphthalen-1-yl)-acetic acid 
• 104199-07-7 ((1R,4aS,8aR)-7-Methoxy-8a-methyl-5,8-dioxo-1,4,4a,5,8,8a-hexahydro-naphthalen-1-yl)-acetic acid 

Downstream Products

• 104199-02-2 (3aR,6aS,9aR,9bR)-7,9b-Dimethyl-3,3a,6,6a,9a,9b-hexahydro-benzo[de]chromene-2,9-dione 
• 104265-16-9 (3aR,6aS,9aS,9bR)-7,9b-Dimethyl-3,3a,6,6a,9a,9b-hexahydro-benzo[de]chromene-2,9-dione 
• 104199-21-5 (3aR,6aR,9aS,9bR)-9-Methoxy-9b-methyl-3,3a,6,6a,9a,9b-hexahydro-benzo[de]chromene-2,7-dione 
• 104199-25-9 ((1R,4aS,8S,8aR)-8-Hydroxy-5,8a-dimethyl-7-oxo-1,4,4a,7,8,8a-hexahydro-naphthalen-1-yl)-acetic acid 

Relevant articles and documents

Quassinoids. 2. A New Approach to the BCD Ring System

Diels-Alder reaction of 2,6-disubstituted quinones 4 and simple dienes 5 furnished cis adducts 3 in good yields.Basic isomerization provided the trans-decalins 11 which were converted into the lactones 2 which are models of the BCD ring systems of quassin