1-(Benzo(b)thien-3-yloxy)-3-((2-(3,4-dimethoxyphenyl)ethyl)amino)-2-propanol hydrochloride

Base Information

• Chemical Name: 1-(Benzo(b)thien-3-yloxy)-3-((2-(3,4-dimethoxyphenyl)ethyl)amino)-2-propanol hydrochloride
• CAS No.: 75510-52-0
• Molecular Formula: C₂₁H₂₅NO₄S*ClH
• Molecular Weight: 423.961
• DSSTox Substance ID: DTXSID50996984

Synonyms:1-(Benzo(b)thien-3-yloxy)-3-((2-(3,4-dimethoxyphenyl)ethyl)amino)-2-propanol hydrochloride;2-Propanol, 1-(benzo(b)thien-3-yloxy)-3-((2-(3,4-dimethoxyphenyl)ethyl)amino)-, hydrochloride;75510-52-0;C21H25NO4S.ClH;DTXSID50996984;C21-H25-N-O4-S.Cl-H;LS-121708;1-[(1-Benzothiophen-3-yl)oxy]-3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}propan-2-ol--hydrogen chloride (1/1)

Chemical Property of 1-(Benzo(b)thien-3-yloxy)-3-((2-(3,4-dimethoxyphenyl)ethyl)amino)-2-propanol hydrochloride

Chemical Property:

• Vapor Pressure: 2.04E-14mmHg at 25°C
• Boiling Point: 582.6°C at 760 mmHg
• Flash Point: 306.2°C
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 423.1271072
• Heavy Atom Count: 28
• Complexity: 427

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)CCNCC(COC2=CSC3=CC=CC=C32)O)OC.Cl

Technology Process of 1-(Benzo(b)thien-3-yloxy)-3-((2-(3,4-dimethoxyphenyl)ethyl)amino)-2-propanol hydrochloride

There total 6 articles about 1-(Benzo(b)thien-3-yloxy)-3-((2-(3,4-dimethoxyphenyl)ethyl)amino)-2-propanol 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: 65.0%

1-(3-Benzothienyloxy)-2,3-epoxypropane (53614-70-3) + 2-(3,4-dimethoxyphenyl)-ethylamine (120-20-7) → 1-(3-Benzothienyloxy)-3-(3,4-dimethoxyphenylethylamino)-2-propanol Hydrochloride (75510-52-0)

Guidance literature:

With hydrogenchloride; In isopropyl alcohol; for 72h; Ambient temperature; 2) diethyl ether;

DOI:10.1002/jhet.5570170518

Reference yield: 63.0%

1-<3-(2-Carboxy)benzothienyloxy>-3-(3,4-dimethoxyphenylethylamino)-2-propanol Hydrochloride (75510-50-8) → 1-(3-Benzothienyloxy)-3-(3,4-dimethoxyphenylethylamino)-2-propanol Hydrochloride (75510-52-0)

Guidance literature:

at 187 ℃; for 0.5h; under 0.1 Torr;

DOI:10.1002/jhet.5570170518

Reference yield:

methyl 3-hydroxybenzo[b]thiophene-2-carboxylate (13134-76-4) → 1-(3-Benzothienyloxy)-3-(3,4-dimethoxyphenylethylamino)-2-propanol Hydrochloride (75510-52-0)

Guidance literature:

Multi-step reaction with 4 steps

1: 1) potassium t-butoxide / 2) 75 deg C, 24 h

2: 62 percent / propan-2-ol / 96 h / Ambient temperature

3: 60 percent / 20percent aqueous NaOH / ethanol / 24 h / Heating

4: 63 percent / 0.5 h / 187 °C / 0.1 Torr

With sodium hydroxide; potassium tert-butylate; In ethanol; isopropyl alcohol;

DOI:10.1002/jhet.5570170518

upstream raw materials:

1-<3-(2-Carboxy)benzothienyloxy>-3-(3,4-dimethoxyphenylethylamino)-2-propanol Hydrochloride

1-(3-Benzothienyloxy)-2,3-epoxypropane

2-(3,4-dimethoxyphenyl)-ethylamine

methyl 3-hydroxybenzo[b]thiophene-2-carboxylate

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