113418-02-3

Basic information

• Product Name: 2,2-DiMethyl-propanoic Acid (6aR-trans)-[3-(1,1-DiMethylheptyl)-6a,7,10,10a-tetrahydro-1-hydroxy-6,6-diMethyl-6H-dibenzo[b,d]pyran-9-yl]Methyl Ester
• Synonyms: 2,2-DiMethyl-propanoic Acid (6aR-trans)-[3-(1,1-DiMethylheptyl)-6a,7,10,10a-tetrahydro-1-hydroxy-6,6-diMethyl-6H-dibenzo[b,d]pyran-9-yl]Methyl Ester;O-tert-Butylcabonyl HU 210
• CAS NO: 113418-02-3
• Molecular Formula: C₃₀H₄₆O₄
• Molecular Weight: 470.68384
• Product Categories: Aromatics;Chiral Reagents;Heterocycles;Intermediates & Fine Chemicals;Pharmaceuticals;Aromatics, Chiral Reagents, Heterocycles, Pharmaceuticals, Intermediates & Fine Chemicals
• Mol File: 113418-02-3.mol

Chemical Properties

• Boiling Point: 513.3±50.0 °C(Predicted)
• Appearance: /
• Density: 1.014±0.06 g/cm3(Predicted)
• PKA: 9.70±0.60(Predicted)
• CAS DataBase Reference: 2,2-DiMethyl-propanoic Acid (6aR-trans)-[3-(1,1-DiMethylheptyl)-6a,7,10,10a-tetrahydro-1-hydroxy-6,6-diMethyl-6H-dibenzo[b,d]pyran-9-yl]Methyl Ester(CAS DataBase Reference)
• NIST Chemistry Reference: 2,2-DiMethyl-propanoic Acid (6aR-trans)-[3-(1,1-DiMethylheptyl)-6a,7,10,10a-tetrahydro-1-hydroxy-6,6-diMethyl-6H-dibenzo[b,d]pyran-9-yl]Methyl Ester(113418-02-3)
• EPA Substance Registry System: 2,2-DiMethyl-propanoic Acid (6aR-trans)-[3-(1,1-DiMethylheptyl)-6a,7,10,10a-tetrahydro-1-hydroxy-6,6-diMethyl-6H-dibenzo[b,d]pyran-9-yl]Methyl Ester(113418-02-3)

Safety Data

• Hazardous Substances Data: 113418-02-3(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
2,2-DiMethyl-propanoic Acid (6aR-trans)-[3-(1,1-DiMethylheptyl)-6a,7,10,10a-tetrahydro-1-hydroxy-6,6-diMethyl-6H-dibenzo[b,d]pyran-9-yl]Methyl Ester is used as a key intermediate in the synthesis of Δ8-tetrahydrocannabinol analogs. These analogs are valuable for their potential therapeutic applications, particularly as selective ligands for the CB2 receptor. The CB2 receptor is a promising target for the development of new drugs to treat various conditions, including inflammation, pain, and neurodegenerative disorders.
Used in Research Applications:
In addition to its pharmaceutical applications, 2,2-DiMethyl-propanoic Acid (6aR-trans)-[3-(1,1-DiMethylheptyl)-6a,7,10,10a-tetrahydro-1-hydroxy-6,6-diMethyl-6H-dibenzo[b,d]pyran-9-yl]Methyl Ester is also used in research settings. It serves as a valuable tool for studying the structure-activity relationships of CB2 receptor ligands and for investigating the biological effects of these compounds. This research can contribute to the development of more effective and selective CB2 receptor-targeting drugs in the future.
Chemical Properties:
The chemical properties of 2,2-DiMethyl-propanoic Acid (6aR-trans)-[3-(1,1-DiMethylheptyl)-6a,7,10,10a-tetrahydro-1-hydroxy-6,6-diMethyl-6H-dibenzo[b,d]pyran-9-yl]Methyl Ester include its orange solid appearance, which is indicative of its stability and purity. 2,2-DiMethyl-propanoic Acid (6aR-trans)-[3-(1,1-DiMethylheptyl)-6a,7,10,10a-tetrahydro-1-hydroxy-6,6-diMethyl-6H-dibenzo[b,d]pyran-9-yl]Methyl Ester's molecular structure and functional groups contribute to its unique chemical properties, making it a versatile building block for the synthesis of various analogs and derivatives with potential applications in pharmaceutical and research settings.

Upstream product

• 56469-10-4 5-(1',1'-dimethyl-n-heptyl)-1,3-dihydroxybenzene 
• 76163-97-8 2,2-Dimethyl-propionic acid (1R,5R)-4-hydroxy-6,6-dimethyl-bicyclo[3.1.1]hept-2-en-2-ylmethyl ester 
• 19894-97-4 (1R)-Myrtenol 
• 3282-30-2 pivaloyl chloride 
• 76163-95-6 (1R,5S)-2-[(2,2-dimethylpropoyloxy)methyl]-6,6-dimethylbicyclo[3.1.1]hept-2-ene 
• 76163-96-7 2,2-Dimethyl-propionic acid (1R,5R)-6,6-dimethyl-4-oxo-bicyclo[3.1.1]hept-2-en-2-ylmethyl ester 

Downstream Products

• 112924-45-5 dexanabinol 
• 137945-54-1 2,2-Dimethyl-propionic acid (6aR,10aR)-1-(tert-butyl-dimethyl-silanyloxy)-3-(1,1-dimethyl-heptyl)-6,6-dimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-9-ylmethyl ester 
• 137945-53-0 [(6aR,10aR)-1-(tert-Butyl-dimethyl-silanyloxy)-3-(1,1-dimethyl-heptyl)-6,6-dimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-9-yl]-methanol 
• 137945-57-4 (6aR,10aR)-1-(tert-Butyl-dimethyl-silanyloxy)-3-(1,1-dimethyl-heptyl)-6,6-dimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromene-9-carbaldehyde 
• 137945-49-4 (6aR,10aR)-1-((tert-butyldimethylsilyl)oxy)-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a,7,10,10a-tetrahydro-6H-benzo[c]chromene-9-carboxylic acid 
• 137945-48-3 ajulemic acid 

Relevant articles and documents

ANTI-EMETIC USES OF (3R, 4R)-DELTA8-TETRAHYDROCANNABINOL-11-OIC ACIDS

The present invention relates to non-psychoactive derivatives of tetrahydrocannabinol, (3R,4R)-Δ8-THC-11-oic acids, for treating or preventing nausea and relieving symptoms thereof.

SYNTHESIS OF THE INDIVIDUAL, PHARMACOLOGICALLY DISTINCT, ENANTIOMERS OF A TETRAHYDROCANNABINOL DERIVATIVE

The individual enantiomers of the 1,1-dimethylheptyl homolog of 7-hydroxy-Δ6-tetrahydrocannabinol, (1) and (2a), which exhibit distinct pharmacological profiles, have been obtained with very high e.e. by synthesis from the antipodes of myrtenol.