[6-Methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]methanone;chloride

Base Information

• Chemical Name: [6-Methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]methanone;chloride
• CAS No.: 84541-36-6
• Molecular Formula: C30H31 N O4 S . Cl H
• Molecular Weight: 538.107
• Mol file: 84541-36-6.mol

Synonyms:SCHEMBL1665332

Chemical Property of [6-Methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]methanone;chloride

Chemical Property:

• PSA: 76.24000
• LogP: 7.42110
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 537.1740574
• Heavy Atom Count: 37
• Complexity: 684

Purity/Quality:

99.9% ^*data from raw suppliers

6-METHOXY-2-(4-METHOXY PHENYL)-BENZO[B]THIEN-3-YL][4-[2-(1-[PIPERIDINYL)ETHOXY]PHENYL]METHANONE HYDROCHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)OC)C(=O)C4=CC=C(C=C4)OCC[NH+]5CCCCC5.[Cl-]

Technology Process of [6-Methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]methanone;chloride

There total 13 articles about [6-Methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]methanone;chloride 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: 93.6%

1-(2-{4-[6-Methoxy-2-(4-methoxy-phenyl)-benzo[b]thiophene-3-carbonyl]-phenoxy}-ethyl)-piperidinium bromide (1293362-54-5) → [2-(4-methoxyphenyl)-6-methoxybenzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]methanone hydrochloride (84541-36-6)

Guidance literature:

1-(2-{4-[6-Methoxy-2-(4-methoxy-phenyl)-benzo[b]thiophene-3-carbonyl]-phenoxy}-ethyl)-piperidinium bromide; With sodium hydroxide; In dichloromethane; water; at 17 ℃; for 0.25h;

With hydrogenchloride; In methanol; dichloromethane; water; at 45 - 50 ℃; pH=1.5;

Reference yield: 85.4%

[6-methoxy-2-(4-methoxyphenyl)benzo[b]thiophen-3-yl](4-hydroxyphenyl)methanone (63676-19-7) + N-chloroethylpiperidine hydrochloride (2008-75-5) → [2-(4-methoxyphenyl)-6-methoxybenzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]methanone hydrochloride (84541-36-6)

Guidance literature:

With tetrabutylammomium bromide; sodium hydroxide; In methanol; dichloromethane; water; at 20 ℃; for 16h; Product distribution / selectivity;

Reference yield:

2-(4'-methoxyphenyl)-6-methoxybenzothiophene (63675-74-1) + 4-(2-(piperidin-1-yl)ethoxy)benzoyl chloride (166975-76-4) → [2-(4-methoxyphenyl)-6-methoxybenzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]methanone hydrochloride (84541-36-6)

Guidance literature:

With aluminium trichloride; In dichloromethane; at 27 - 29 ℃; for 1.5h; Yield given;

DOI:10.1021/jm00374a021

upstream raw materials:

2-(4'-methoxyphenyl)-6-methoxybenzothiophene

4-(2-(piperidin-1-yl)ethoxy)benzoyl chloride

3-methoxybenzenethiol

α-(3-methoxyphenyl-thio)-4-methoxyacetophenone

Downstream raw materials:

raloxifene hydrochloride

[6-Methoxy-2-(4-Methoxyphenyl)benzo[b]thien-3-yl]-[4-[2-(1-Piperidinyl)ethoxy]phenyl] Methanone

1-(2-{4-[6-Methoxy-2-(4-methoxy-phenyl)-benzo[b]thiophene-3-carbonyl]-phenoxy}-ethyl)-piperidinium bromide

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