N-(2-Methoxybenzyl)-2-(2,5-dimethoxy-4-iodophenyl)ethanamine hydrochloride

Base Information

• Chemical Name: N-(2-Methoxybenzyl)-2-(2,5-dimethoxy-4-iodophenyl)ethanamine hydrochloride
• CAS No.: 1043868-97-8
• Molecular Formula: C₁₈H₂₂INO₃*ClH
• Molecular Weight: 463.743
• Hs Code.: 2922299090
• UNII: 0V30416N51
• DSSTox Substance ID: DTXSID10697743
• Wikidata: Q27237283
• Mol file: 1043868-97-8.mol

Synonyms:1043868-97-8;N-(2-METHOXYBENZYL)-2-(2,5-DIMETHOXY-4-IODOPHENYL)ETHANAMINE HYDROCHLORIDE;25I-Nbome HCl;25I-NBOMe (hydrochloride);2,5-Dimethoxy-4-iodo-N-(2-methoxybenzyl)phenethylamine hydrochloride;N-(2-Methoxybenzyl)-2-(2,5-dimethoxy-4-iodophenyl)ethanamine HCl;UNII-0V30416N51;0V30416N51;2-(4-iodo-2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine;hydrochloride;Benzeneethanamine, 4-iodo-2,5-dimethoxy-N-((2-methoxyphenyl)methyl)-, hydrochloride (1:1);25I-NBOME HYDROCHLORIDE;DTXSID10697743;AMY10976;AKOS016003860;AC-22326;PD019693;A26295;Q27237283;4-iodo-2,5-dimethoxy-N-(2-methoxybenzyl)phenethylamine hydrochloride;N-(2-methoxybenzyl)-2-(4-iodo-2,5-dimethoxyphenyl)ethanamine hydrochloride;2-(4-Iodo-2,5-dimethoxyphenyl)-N-(2-methoxybenzyl)ethan-1-amine hydrochloride

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Chemical Property of N-(2-Methoxybenzyl)-2-(2,5-dimethoxy-4-iodophenyl)ethanamine hydrochloride

Chemical Property:

• Flash Point: 9℃
• PSA: 39.72000
• LogP: 4.84220
• Storage Temp.: -20°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 463.04112
• Heavy Atom Count: 24
• Complexity: 331

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC=C1CNCCC2=CC(=C(C=C2OC)I)OC.Cl
• Description: 25I-NBOMe (hydrochloride) (Item No. 9001128) is an analytical reference material categorized as a phenylethylamine. 25I-NBOMe is regulated as a Schedule I compound in the United States. This product is intended for research and forensic applications.
• Uses: 25Inbome Hydrochloride is a 5-HT2A/2C agonists.

Technology Process of N-(2-Methoxybenzyl)-2-(2,5-dimethoxy-4-iodophenyl)ethanamine hydrochloride

There total 2 articles about N-(2-Methoxybenzyl)-2-(2,5-dimethoxy-4-iodophenyl)ethanamine 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:

N-(tert-butoxycarbonyl)-N-(2-hydroxybenzyl)-2-(4-iodo-2-hydroxy-5-methoxyphenyl)ethylamine (1043869-10-8) + methyl iodide (74-88-4) → 2-(((4-iodo-2,5-dimethoxyphenethyl)amino)methyl)phenol (919797-20-9) + 2-(4-iodo-2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine hydrochloride (1043868-97-8) + 5-iodo-4-methoxy-2-(2-((2-methoxybenzyl)amino)ethyl)phenol (1043869-18-6)

Guidance literature:

N-(tert-butoxycarbonyl)-N-(2-hydroxybenzyl)-2-(4-iodo-2-hydroxy-5-methoxyphenyl)ethylamine; methyl iodide; With sodium hydride; In N,N-dimethyl-formamide;

With hydrogenchloride; In methanol; at 20 ℃; for 12h; Further stages.;

DOI:10.1016/j.bmc.2008.04.050

Reference yield:

C18H20INO3 → 2-(4-iodo-2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine hydrochloride (1043868-97-8)

Guidance literature:

C₁₈H₂₀INO₃; With sodium tetrahydroborate; In methanol; for 0.5h; Cooling with ice;

With hydrogenchloride; In ethanol;

DOI:10.1021/cn500292d

upstream raw materials:

N-(tert-butoxycarbonyl)-N-(2-hydroxybenzyl)-2-(4-iodo-2-hydroxy-5-methoxyphenyl)ethylamine

methyl iodide

Refernces

• 1、 Nichols, David E.,Frescas, Stewart P.,Chemel, Benjamin R.,Rehder, Kenneth S.,Zhong, Desong,Lewin, Anita H.. "High specific activity tritium-labeled N-(2-methoxybenzyl)-2,5-dimethoxy-4-iodophenethylamine (INBMeO): A high-affinity 5-HT2A receptor-selective agonist radioligand". . p. 6116 - 6123. Retrieved 2008/12/21.