5-Benzyloxytryptamine hydrochloride

Base Information

• Chemical Name: 5-Benzyloxytryptamine hydrochloride
• CAS No.: 52055-23-9
• Molecular Formula: C17H18N2O^.HCl
• Molecular Weight: 302.804
• Hs Code.: 29339980
• European Community (EC) Number: 257-626-4
• NSC Number: 73394
• ChEMBL ID: CHEMBL2316068
• Mol file: 52055-23-9.mol

Synonyms:5-Benzyloxytryptamine hydrochloride;52055-23-9;5-Benzyloxytryptamine HCl;5-Benzyloxytryptamine, HCl;2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;hydrochloride;MFCD00012685;2-(5-(benzyloxy)-1H-indol-3-yl)ethanamine hydrochloride;C17-H18-N2-O.Cl-H;2-[5-(benzyloxy)-1H-indol-3-yl]ethanamine hydrochloride;2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine Hydrochloride;Cambridge id 5119598;SCHEMBL2540855;CHEMBL2316068;IUWVJCIEWSQGHH-UHFFFAOYSA-N;5-benzyloxy-tryptamine hydrochloride;NSC73394;NSC-73394;5-(Benzyloxy)tryptamine hydrochloride;AKOS015888136;AC-9171;5-Benzyloxytryptamine hydrochloride, 98%;AS-36368;FT-0620056;B-2150;EN300-1659509;A814873;5-(phenylmethoxy)indole-3-ethanamine monohydrochloride;Z2027322507;2-[5-(benzyloxy)-1H-indol-3-yl]ethan-1-amine hydrochloride

Chemical Property of 5-Benzyloxytryptamine hydrochloride

Chemical Property:

• Appearance/Colour: crystalline powder
• Vapor Pressure: 2.15E-09mmHg at 25°C
• Melting Point: 260-263 °C(lit.)
• Boiling Point: 480.5 °C at 760 mmHg
• Flash Point: 244.4 °C
• PSA: 51.04000
• Density: 1.193g/cm3
• LogP: 4.75040
• Storage Temp.: -20°C
• Sensitive.: Light Sensitive
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 302.1185909
• Heavy Atom Count: 21
• Complexity: 291

Purity/Quality:

98%,99%, ^*data from raw suppliers

5-Benzyloxytryptamine hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 43-36/37
• Safety Statements: 36/37-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3CCN.Cl
• Uses: Reactant for preparation of:Indole alkaloid-based compounds for drug discoverySerotonin 5-HT6 receptor ligands 5-benzyloxytryptamine hydrochloride is a useful reactant for the preparation of thioacetylated pseudopeptides.

Technology Process of 5-Benzyloxytryptamine hydrochloride

There total 5 articles about 5-Benzyloxytryptamine 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: 90.0%

[2-(5-benzyloxy-indol-3-yl)-ethyl]-carbamic acid tert-butyl ester (53157-47-4) → 5-benzyloxytryptamine hydrochloride (52055-23-9)

Guidance literature:

With hydrogenchloride; In ethyl acetate; at 20 ℃; for 0.75h;

DOI:10.1016/j.ejmech.2012.10.057

Reference yield:

5-benzyloxyindole-3-acetamide (5933-28-8) → 5-benzyloxytryptamine hydrochloride (52055-23-9)

Guidance literature:

In tetrahydrofuran; ethanol; water;

Reference yield:

tert-butyl 2-(5-hydroxy-1H-indol-3-yl)ethylcarbamate (53157-48-5) → 5-benzyloxytryptamine hydrochloride (52055-23-9)

Guidance literature:

Multi-step reaction with 2 steps

1: caesium carbonate / N,N-dimethyl-formamide / Heating

2: hydrogenchloride / ethyl acetate / 0.75 h / 20 °C

With hydrogenchloride; caesium carbonate; In ethyl acetate; N,N-dimethyl-formamide;

DOI:10.1016/j.ejmech.2012.10.057

upstream raw materials:

5-benzyloxyindole-3-acetamide

tert-butyl 2-(5-hydroxy-1H-indol-3-yl)ethylcarbamate

serotonin hydrochloride

[2-(5-benzyloxy-indol-3-yl)-ethyl]-carbamic acid tert-butyl ester

Downstream raw materials:

C₆₉H₇₀N₆O₁₀

5-Benzyloxy DMT

N-[2-(5-Benzyloxyindol-3-yl)ethyl] butanamide

(2S)-2-benzyl 6-ethanethioamido-1-oxo-1-[2-(5-benzyloxy-1H-indol-3yl)ethylamino]hexan-2-ylcarbamate

Refernces

• 1、 -. "Brain-specific drug delivery". . . Retrieved 2008/06/13.
• 2、 -. "[9H]-Pyrido-[3,4-b]-indoles". . . Retrieved 2008/06/13.