2H-1,5-Benzoxathiepin-4-carboxylic acid, 3,4-dihydro-3-oxo-4-[3-(4-phenyl-1-piperazinyl)propyl]-, methyl ester, monohydrochloride

Base Information

• Chemical Name: 2H-1,5-Benzoxathiepin-4-carboxylic acid, 3,4-dihydro-3-oxo-4-[3-(4-phenyl-1-piperazinyl)propyl]-, methyl ester, monohydrochloride
• CAS No.: 99014-20-7
• Molecular Formula: C₂₄H₂₈N₂O₄S*ClH
• Molecular Weight: 477.024
• Mol file: 99014-20-7.mol

Synonyms:

Chemical Property of 2H-1,5-Benzoxathiepin-4-carboxylic acid, 3,4-dihydro-3-oxo-4-[3-(4-phenyl-1-piperazinyl)propyl]-, methyl ester, monohydrochloride

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 2H-1,5-Benzoxathiepin-4-carboxylic acid, 3,4-dihydro-3-oxo-4-[3-(4-phenyl-1-piperazinyl)propyl]-, methyl ester, monohydrochloride

There total 1 articles about 2H-1,5-Benzoxathiepin-4-carboxylic acid, 3,4-dihydro-3-oxo-4-[3-(4-phenyl-1-piperazinyl)propyl]-, methyl ester, monohydrochloride 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: 18.0%

3-(4-phenyl-1-piperazinyl)propyl chloride (67980-67-0) + methyl 3-oxo-3,4-dihydro-2H-1,5-benzoxathiepin-4-carboxylate (99013-76-0) → 7-Oxo-8-[3-(4-phenyl-piperazin-1-yl)-propyl]-7,8-dihydro-6H-5-oxa-9-thia-benzocycloheptene-8-carboxylic acid methyl ester; hydrochloride (99014-20-7)

Guidance literature:

With potassium carbonate; potassium iodide; In acetonitrile; for 4h; Heating;

DOI:10.1248/cpb.35.1930

Reference yield: 38.0%

7-Oxo-8-[3-(4-phenyl-piperazin-1-yl)-propyl]-7,8-dihydro-6H-5-oxa-9-thia-benzocycloheptene-8-carboxylic acid methyl ester; hydrochloride (99014-20-7) → (7S,8R)-7-Hydroxy-8-[3-(4-phenyl-piperazin-1-yl)-propyl]-7,8-dihydro-6H-5-oxa-9-thia-benzocycloheptene-8-carboxylic acid methyl ester; hydrochloride (99014-21-8,99014-22-9) + (7R,8R)-7-Hydroxy-8-[3-(4-phenyl-piperazin-1-yl)-propyl]-7,8-dihydro-6H-5-oxa-9-thia-benzocycloheptene-8-carboxylic acid methyl ester; hydrochloride (99014-21-8,99014-22-9)

Guidance literature:

With sodium tetrahydroborate; In tetrahydrofuran; methanol; for 3h;

DOI:10.1248/cpb.35.1930

upstream raw materials:

3-(4-phenyl-1-piperazinyl)propyl chloride

methyl 3-oxo-3,4-dihydro-2H-1,5-benzoxathiepin-4-carboxylate

Downstream raw materials:

(7S,8R)-7-Hydroxy-8-[3-(4-phenyl-piperazin-1-yl)-propyl]-7,8-dihydro-6H-5-oxa-9-thia-benzocycloheptene-8-carboxylic acid methyl ester; hydrochloride

(7R,8R)-7-Hydroxy-8-[3-(4-phenyl-piperazin-1-yl)-propyl]-7,8-dihydro-6H-5-oxa-9-thia-benzocycloheptene-8-carboxylic acid methyl ester; hydrochloride