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529-38-4

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529-38-4 Usage

Description

COCAETHYLENE, also known as Cocaethylene, is a homolog of Cocaine and a controlled substance. It is a crystalline solid that acts as a high-affinity ligand for the dopamine transporter. COCAETHYLENE is formed as a metabolite of Cocaine when alcohol is concurrently abused, leading to its classification as a controlled substance due to its potential for abuse and addiction.

Uses

Used in Pharmaceutical Applications:
COCAETHYLENE is used as a local anesthetic for its numbing effects on specific areas of the body. Its high-affinity for the dopamine transporter makes it a subject of interest in the study of addiction and substance abuse, as well as potential applications in the development of new medications for treating such conditions.
Used in Research and Development:
In the field of neuroscience and addiction research, COCAETHYLENE is used as a research compound to better understand the mechanisms of drug addiction, particularly in cases where Cocaine and alcohol are abused simultaneously. This knowledge can contribute to the development of more effective treatments and interventions for substance abuse disorders.
Used in Regulatory and Forensic Analysis:
As a controlled substance, COCAETHYLENE is also used in regulatory and forensic analysis to detect and monitor its presence in cases of drug abuse, trafficking, and other related criminal activities. This helps law enforcement and regulatory agencies to enforce drug control policies and protect public health.
Used in Chemical and Material Science:
COCAETHYLENE, being a crystalline solid, may have potential applications in the field of chemical and material science, where its unique properties can be studied and utilized for the development of new materials or processes. However, further research would be required to explore these possibilities.

Check Digit Verification of cas no

The CAS Registry Mumber 529-38-4 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 5,2 and 9 respectively; the second part has 2 digits, 3 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 529-38:
(5*5)+(4*2)+(3*9)+(2*3)+(1*8)=74
74 % 10 = 4
So 529-38-4 is a valid CAS Registry Number.
InChI:InChI=1/C18H23NO4/c1-3-22-18(21)16-14-10-9-13(19(14)2)11-15(16)23-17(20)12-7-5-4-6-8-12/h4-8,13-16H,3,9-11H2,1-2H3/t13-,14+,15-,16+/m0/s1

529-38-4SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name ethyl (1S,3S,4R,5R)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate

1.2 Other means of identification

Product number -
Other names Ethyl benzoylecgonine

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:529-38-4 SDS

529-38-4Synthetic route

ethyl iodide
75-03-6

ethyl iodide

benzylecgonine
519-09-5

benzylecgonine

cocaethylene
529-38-4

cocaethylene

Conditions
ConditionsYield
With N,N,N,N,-tetramethylethylenediamine In dichloromethane for 72h; Ambient temperature;72%
With ethanol at 100℃; im Rohr;
ethanol
64-17-5

ethanol

benzylecgonine
519-09-5

benzylecgonine

cocaethylene
529-38-4

cocaethylene

Conditions
ConditionsYield
Stage #1: benzylecgonine With oxalyl dichloride at 20℃; for 0.333333h;
Stage #2: ethanol at 20℃; for 12h;
60%
With hydrogenchloride
With hydrogenchloride at 0℃; for 48h;
ethanol
64-17-5

ethanol

hydrochloride of l-ecgonine

hydrochloride of l-ecgonine

cocaethylene
529-38-4

cocaethylene

Conditions
ConditionsYield
With hydrogenchloride Erhitzen des Reaktionsprodukts mit Benzoylchlorid;
With hydrogenchloride Erhitzen des Reaktionsprodukts mit Benzoylchlorid;

529-38-4Downstream Products

529-38-4Relevant articles and documents

Convenient synthesis of benzoylecgonine ethyl ester, a homolog of cocaine

Brzezinski,Christian,Lin,Dean,Bosron,Harper

, p. 1027 - 1032 (1992)

Benzoylecgonine reacted with tetramethylethyhlenediamine to form a lipophilic ion pair, which was alkylated in the absence of water. The ethyl ester was readily recrystallized for pharmacological studies.

2β-Substituted Analogues of Cocaine. Synthesis and Inhibition of Binding to the Cocaine Receptor

Lewin, Anita H.,Gao, Yigong,Abraham, Philip,Boja, John W.,Kuhar, Michael J.,Carroll, F. Ivy

, p. 135 - 140 (2007/10/02)

The potencies of a series of 2β-substituted cocaine analogues to displace -3β-(p-fluorophenyl)tropane-2β-carboxylic acid methyl ester binding in rat striatal membranes demonstrate the requirement for a 2β-substituent with two hydrogen-bond acceptors.The insensitivity of the ester moiety to steric and electronic factors suggests its modification to provide site-specific irreversible ligands.

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