60526-81-0

Basic information

• Product Name: 1-(1 1-DIMETHYLHEPTYL)-3 5-DIMETHOXYBEN&
• Synonyms: 1-(1 1-DIMETHYLHEPTYL)-3 5-DIMETHOXYBEN&;5-(1,1-dimethylheptyl)-1,3-dimethoxybenzene;5-(1,1-dimethylheptyl)3,5-dimethoxybenzene;3-(1,1-DIMETHYL-HEPTYL)-5-METHOXYANISOLE;1-(1,1-Dimethylheptyl)-3,5-dimethoxybenzene;Einecs 262-280-2;1,3-DiMethoxy-5-(2-Methyloctan-2-yl)benzene
• CAS NO: 60526-81-0
• Molecular Formula: C₁₇H₂₈O₂
• Molecular Weight: 264.40302
• EINECS: 262-280-2
• Product Categories: Ethers;Organic Building Blocks;Oxygen Compounds;Building Blocks;C15 to C19;Chemical Synthesis;Organic Building Blocks;Oxygen Compounds
• Mol File: 60526-81-0.mol

Chemical Properties

• Boiling Point: 122 °C0.5 mm Hg(lit.)
• Flash Point: >230 °F
• Appearance: /
• Density: 0.943 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.000108mmHg at 25°C
• Refractive Index: n20/D 1.500(lit.)
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 1-(1 1-DIMETHYLHEPTYL)-3 5-DIMETHOXYBEN&(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(1 1-DIMETHYLHEPTYL)-3 5-DIMETHOXYBEN&(60526-81-0)
• EPA Substance Registry System: 1-(1 1-DIMETHYLHEPTYL)-3 5-DIMETHOXYBEN&(60526-81-0)

Safety Data

• WGK Germany: 3
• Hazardous Substances Data: 60526-81-0(Hazardous Substances Data)

Usage

Uses

Used in Research Applications:
1-(1 1-DIMETHYLHEPTYL)-3 5-DIMETHOXYBEN& is used as a research chemical for studying the effects and mechanisms of action of cannabinoids on the CB1 and CB2 receptors. It helps scientists understand the potential therapeutic applications of cannabinoids and their role in various physiological and psychological processes.
Used in Pharmaceutical Development:
In the pharmaceutical industry, 1-(1 1-DIMETHYLHEPTYL)-3 5-DIMETHOXYBEN& is used as a lead compound for the development of new drugs targeting the cannabinoid system. Its high affinity for CB1 and CB2 receptors makes it a valuable tool for designing medications with potential therapeutic benefits for various conditions, such as pain, inflammation, and neurological disorders.
However, it is important to note that due to its potential for abuse, dependence, and adverse effects on mental and physical health, the use and distribution of 1-(1 1-DIMETHYLHEPTYL)-3 5-DIMETHOXYBEN& are subject to legal restrictions in many countries.

InChI:InChI=1/C17H28O2/c1-6-7-8-9-10-17(2,3)14-11-15(18-4)13-16(12-14)19-5/h11-13H,6-10H2,1-5H3

Upstream product

• 39192-51-3 1-(3,5-dimethoxyphenyl)heptan-1-one 
• 544-97-8 dimethyl zinc(II) 
• 61133-09-3 2'-(3,5-dimethoxyphenyl)-2'-methyloctanal 
• 83816-39-1 Lithium; 2-(3,5-dimethoxy-phenyl)-octan-2-olate 
• 89244-02-0 2,4-Dimethoxy-6-(1,1-dimethylheptyl)-phenol 
• 61133-10-6 C₁₈H₂₉N₃O₃ 
• 75-24-1 trimethylaluminum 
• 866398-16-5 trifluoromethanesulfonic acid 4-(1,1-dimethylheptyl)-2,6-dimethoxyphenyl ester 
• 91-10-1 1,3-dimethoxy-2-hydroxy-benzene 
• 628-44-4 2-methyl-2-octanol 
• 60526-69-4 4-(1,1-dimethylheptyl)-2,6-dimethoxyphenol 
• 60526-75-2 4-(1',1'-dimethylheptyl)-2,6-dimethoxyphenyl diethylphosphate 
• 56469-10-4 5-(1',1'-dimethyl-n-heptyl)-1,3-dihydroxybenzene 
• 77-78-1 dimethyl sulfate 

Downstream Products

• 56469-10-4 5-(1',1'-dimethyl-n-heptyl)-1,3-dihydroxybenzene 
• 154396-01-7 3-[2,6-Dimethoxy-4-(1,1-dimethylheptyl)phenyl]cyclohexanone 
• 468083-93-4 O-2092 
• 1309372-74-4 2-(2,6-dimethoxy-4-(2-methyloctan-2-yl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 
• 1309372-77-7 HU 911 
• 1309372-83-5 HU 909 
• 1309372-87-9 HU 913 
• 1245784-41-1 1-(3,4-dichlorophenyl)-7-(1,1-dimethylheptyl)-1,4-dihydro-4,4-dimethylchromeno[4,3-c]pyrazol-9-ol 
• 1245784-42-2 1-(2,4-dichlorophenyl)-7-(1,1-dimethylheptyl)-1,4-dihydro-4,4-dimethylchromeno[4,3-c]pyrazol-9-ol 
• 1309372-84-6 HU 910 
• 1309372-88-0 HU 914 
• 174627-62-4 2,6-dimethoxy-4-(2-methyloctan-2-yl)phenylboronic acid 
• 303113-18-0 (6E)-1-[4-(1,1-dimethylheptyl)-2-hydroxy-6-prop-2-enyloxyphenyl]-10-tert-butyldimethylsilyloxy-7-methyldec-6-en-8-yne-1,3-diol 
• 303113-17-9 (6E)-1-[4-(1,1-dimethylheptyl)-2-hydroxy-6-prop-2-enyloxyphenyl]-3-hydroxy-10-tert-butyldimethylsilyloxy-7-methyldec-6-en-8-yn-1-one 

Relevant articles and documents

METHODS AND COMPOSITIONS RELATING TO ULTRAPURE 5-(1,1-DIMETHYLHEPTYL)-RESORCINOL

The invention provides methods and compositions relating to an ultrapure formulation of 5-(1,1-dimethylheptyl)-resorcinol (ultrapure DMHR). The invention features methods for making ultrapure DMHR, including methods that minimize the production of unwanted side products (e.g., the production of homologous alkyl-chain impurities). The invention also features methods of making cannabinoids, such as (6aR,10aR)-1-hydroxy-6,6-dimethyl-3-(2-methyl-2-octanyl)-6a,7,10,10a-tetrahydro-6H-benzo[c]chromene-9-carboxylic acid (ajulemic acid), using ultrapure DMHR, including methods that minimize the production of unwanted side products (e.g., the production of homologous alkyl-chain impurities) in the resulting cannabinoid preparation.

PROCESS FOR THE PREPARATION OF HU-910 AND CRYSTALLINE STRUCTURE THEREOF

The invention provides processes for the preparation of HU-910, which are scalable to industrial purposes, using safer reagents and having high yield and pure product and a crystalline structure of HU-910, which is a unique product thereof.

Expedient synthesis of potent cannabinoid receptor agonist (-)-CP55,940

(Chemical Equation Presented) A stereocontrolled synthesis of (-)-CP55,940, a potent cannabinoid receptor agonist, has been attained using a novel aldolization/retroaldolization interconversion strategy, in which a temporarily generated chiral aldol motif plays essential roles.

High enantiomeric purity dexanabinol for pharmaceutical compositions

The present invention relates to a synthetic cannabinoid, dexanabinol, of enantiomeric purity in excess of 99.90%, or to a pharmaceutically acceptable salt, ester or solvate of said compound. The present invention also relates to pharmaceutical grade compositions comprising said compound of high enantiomeric purity, and uses thereof for prevention and treatment of neurological disorders, chronic degenerative diseases, CNS poisoning, cognitive impairment, inflammatory diseases or disorders, autoimmune diseases or disorders, pain, emesis, glaucoma and wasting syndromes.

Synthesis of functionalized cannabinoids

An effective synthesis of tricyclic, nonclassical cannabinoids has been developed on the basis of a cation-olefin cyclization that forms the two nonaromatic rings with the desired stereochemistry in a single step.

5-(Tertiary alkyl) resorcinol preparation and intermediates therefor

2,6-Dimethoxyphenol reacts with a tertiary carbinol in the presence of an acid to provide exclusively a 1-hydroxy-2,6-dimethoxy-4-tertiary alkyl)benzene, which when reacted with a halogenated disubstituted phosphite affords a 2,6-dimethoxy-4-tertiary alkyl)phenyl disubstituted phosphate. Reduction of the phenyl phosphate derivative by reaction with an alkali metal affords a 1-(tertiary alkyl)-3,5-dimethoxybenzene, which upon reaction with a demethylating agent provides a 5-(tertiary alkyl)resorcinol.

Cannabinoids. 1. 1 Amino and 1 mercapto 7,8,9,10 tetrahydro 6H dibenzo[b,d]pyrans

A series of 1 amino and 1 mercapto 7,8,9,10 tetrahydro 6H dibenzo [b,d] pyrans was synthesized and subsequently evaluated in three rodent test systems for CNS activity. The structure activity data generated indicate that, in general, a change of the 1 hydroxy group to an amine results in a retention of pharmacological activity but that a change to sulfur results in loss of pharmacological activity. Derivatization of the 1 amino group with various functions decreased the activity of the parent compound. For optimum potency, in all series, the 3 position alkyl side chain should be either 1,1 or 1,2 dimethylheptyl. With either the 1 hydroxy or 1 amino 7,8,9,10 tetrahydro 3 (1,1 dimethylheptyl) 6,6,9 trimethyl 6H dibenzo [b,d]pyran (4c or 10c), preparation of the optically active antipodes did not lead to any great degree of separation of activity. Both of the antipodes possess pharmacological activity as measured in these rodent test systems.