Mescaline hydrochloride

Base Information

• Chemical Name: Mescaline hydrochloride
• CAS No.: 832-92-8
• Molecular Formula: C11H17 N O3 . Cl H
• Molecular Weight: 247.722
• Hs Code.: 2922299090
• European Community (EC) Number: 212-626-3
• NSC Number: 172790
• UNII: XQG91WTZ12
• DSSTox Substance ID: DTXSID7048879
• Wikidata: Q27293962
• ChEMBL ID: CHEMBL534907
• Mol file: 832-92-8.mol

Synonyms:Mescaline hydrochloride;832-92-8;Mescaline hydrochloride salt;Benzeneethanamine, 3,4,5-trimethoxy-, hydrochloride;mescaline HCl;3,4,5-Trimethoxyphenethylamine hydrochloride;EINECS 212-626-3;UNII-XQG91WTZ12;NSC 172790;XQG91WTZ12;DTXSID7048879;Phenethylamine, 3,4,5-trimethoxy-, hydrochloride;3,4,5-Trimethoxy-beta-phenylethylamine hydrochloride;NSC-172790;2-(3,4,5-trimethoxyphenyl)ethan-1-amine hydrochloride;NCGC00247674-01;3,4,5-Trimethoxybenzeneethanamine Hydrochloride;CHEMBL534907;SCHEMBL3219304;DTXCID7028805;M (PSYCHEDELIC) hydrochloride;Tox21_112822;NSC172790;WLN: Z2R CO1 DO1 EO1 &GH;3,5-Trimethoxyphenethylamine hydrochloride;CAS-832-92-8;LS-103731;M-3030;Benzeneethanamine,4,5-trimethoxy-, hydrochloride;Ethylamine, 3,4,5-trimethoxyphen-, hydrochloride;2-(3,4,5-trimethoxyphenyl)ethanamine;hydrochloride;3,5-Trimethoxy-.beta.-phenylethylamine hydrochloride;W-204256;Q27293962

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Chemical Property of Mescaline hydrochloride

Chemical Property:

• Vapor Pressure: 0.000541mmHg at 25°C
• Melting Point: 180-182°C
• Boiling Point: 312.1 °C at 760 mmHg
• Flash Point: 145.8 °C
• PSA: 53.71000
• LogP: 2.71590
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 247.0975211
• Heavy Atom Count: 16
• Complexity: 163

Purity/Quality:

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn,T,F
• Statements: 22-39/23/24/25-36/38-23/24/25-11
• Safety Statements: 22-26-36-45-36/37-24-16-7

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1OC)OC)CCN.Cl
• Uses: Mescaline is a psychedelic phenethylamine that is found naturally in plants predominantly in the cactus family, including peyote (L. williamsii). It binds and activates serotonin receptors, with preference for 5-HT2A over 5-HT2C (EC50 = 4 and 24 μM, respectively). This product is intended for research and forensic purposes.[Cayman Chemical] Psychotomimetic alkaloid isolated from peyote (mescal buttons), the flowering heads of Lophophora williamsii (Lemaire). Controlled substance (hallucinogen)

Technology Process of Mescaline hydrochloride

There total 3 articles about Mescaline hydrochloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 84.0%

benzyl 3,4,5-trimethoxyphenethylcarbamate (1436392-06-1) → mescaline hydrochloride (832-92-8)

Guidance literature:

benzyl 3,4,5-trimethoxyphenethylcarbamate; With palladium on activated charcoal; hydrogen; In methanol; chloroform; for 24h;

With hydrogenchloride; In methanol; diethyl ether; water;

DOI:10.1016/j.bmc.2013.03.077

Reference yield: 77.7%

3,4,5-trimethoxy-β-nitrostyrene (6316-70-7) → mescaline hydrochloride (832-92-8)

Guidance literature:

3,4,5-trimethoxy-β-nitrostyrene; With lithium aluminium tetrahydride; In tetrahydrofuran; for 5h; Cooling with ice; Reflux;

With hydrogenchloride; In diethyl ether;

DOI:10.1002/ardp.201100169

Reference yield:

3-(3,4,5-trimethoxyphenyl)propanoic acid (25173-72-2) → mescaline hydrochloride (832-92-8)

Guidance literature:

Multi-step reaction with 2 steps

1.1: triethylamine; diphenyl phosphoryl azide / benzene

1.2: 30 h / 80 °C

2.1: hydrogen; palladium on activated charcoal / methanol; chloroform / 24 h

With diphenyl phosphoryl azide; palladium on activated charcoal; hydrogen; triethylamine; In methanol; chloroform; benzene;

DOI:10.1016/j.bmc.2013.03.077

upstream raw materials:

3,4,5-trimethoxy-β-nitrostyrene

3-(3,4,5-trimethoxyphenyl)propanoic acid

benzyl 3,4,5-trimethoxyphenethylcarbamate

Downstream raw materials:

2-(3,4,5-trimethoxyphenyl)ethanol

dimethyl-(3,4,5-trimethoxy-phenethyl)-amine

1-(2,6-dichlorophenyl)-6,7,8-trimethoxy-3,4-dihydroisoquinoline

1-(3,5-dinitrophenyl)-6,7,8-trimethoxy-3,4-dihydroisoquinoline hydrochloride

Refernces

• 1、 Zheng, Can-Hui,Chen, Jun,Liu, Jia,Zhou, Xiao-Tian,Liu, Na,Shi, Duo,Huang, Jing-Jing,Lv, Jia-Guo,Zhu, Ju,Zhou, You-Jun. "Synthesis and biological evaluation of 1-phenyl-1,2,3,4-dihydroisoquinoline compounds as tubulin polymerization inhibitors". experimental part. p. 454 - 462. Retrieved 2012/08/28.