alpha-1-(1-((1,4-Benzodioxan-2-ylmethyl)amino)ethyl)-p-hydroxybenzyl alcohol hydrochloride

Base Information

• Chemical Name: alpha-1-(1-((1,4-Benzodioxan-2-ylmethyl)amino)ethyl)-p-hydroxybenzyl alcohol hydrochloride
• CAS No.: 87081-17-2
• Molecular Formula: C₁₈H₂₁NO₄*ClH
• Molecular Weight: 351.83
• DSSTox Substance ID: DTXSID001007322
• Mol file: 87081-17-2.mol

Synonyms:alpha-1-(1-((1,4-Benzodioxan-2-ylmethyl)amino)ethyl)-p-hydroxybenzyl alcohol hydrochloride;87081-17-2;Benzyl alcohol, alpha-1-(1-((1,4-benzodioxan-2-ylmethyl)amino)ethyl)-p-hydroxy-, hydrochloride;DTXSID001007322;LS-42718;4-(2-{[(2,3-Dihydro-1,4-benzodioxin-2-yl)methyl]amino}-1-hydroxypropyl)phenol--hydrogen chloride (1/1)

Chemical Property of alpha-1-(1-((1,4-Benzodioxan-2-ylmethyl)amino)ethyl)-p-hydroxybenzyl alcohol hydrochloride

Chemical Property:

• Vapor Pressure: 8.36E-12mmHg at 25°C
• Boiling Point: 523.9°Cat760mmHg
• Flash Point: 270.7°C
• PSA: 70.95000
• Density: g/cm³
• LogP: 3.43660
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 351.1237359
• Heavy Atom Count: 24
• Complexity: 359

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(C1=CC=C(C=C1)O)O)NCC2COC3=CC=CC=C3O2.Cl

Technology Process of alpha-1-(1-((1,4-Benzodioxan-2-ylmethyl)amino)ethyl)-p-hydroxybenzyl alcohol hydrochloride

There total 3 articles about alpha-1-(1-((1,4-Benzodioxan-2-ylmethyl)amino)ethyl)-p-hydroxybenzyl alcohol 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: 70.0%

1-(4-Benzyloxy-phenyl)-2-[(2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-amino]-propan-1-one; hydrochloride → 4-{2-[(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-amino]-1-hydroxy-propyl}-phenol; hydrochloride (87081-17-2)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; water; under 760 Torr; Ambient temperature;

Reference yield:

(2,3-dihydrobenzo[1,4]dioxin-2-ylmethyl)amine (4442-59-5) → 4-{2-[(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-amino]-1-hydroxy-propyl}-phenol; hydrochloride (87081-17-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 55 percent / 1) Et₃N, 2) HCl / ethanol / 4 h / Heating

2: 70 percent / H₂ / 5percent Pd/C / ethanol; H₂O / 760 Torr / Ambient temperature

With hydrogenchloride; hydrogen; triethylamine; palladium on activated charcoal; In ethanol; water;

Reference yield:

1-<4-(benzyloxy)phenyl>-2-bromo-1-propanone (35081-45-9) → 4-{2-[(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-amino]-1-hydroxy-propyl}-phenol; hydrochloride (87081-17-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 55 percent / 1) Et₃N, 2) HCl / ethanol / 4 h / Heating

2: 70 percent / H₂ / 5percent Pd/C / ethanol; H₂O / 760 Torr / Ambient temperature

With hydrogenchloride; hydrogen; triethylamine; palladium on activated charcoal; In ethanol; water;

upstream raw materials:

(2,3-dihydrobenzo[1,4]dioxin-2-ylmethyl)amine

1-<4-(benzyloxy)phenyl>-2-bromo-1-propanone

Refernces