O-Desacetyl-N-desmethyl Diltiazem

Base Information

• Chemical Name: O-Desacetyl-N-desmethyl Diltiazem
• CAS No.: 81353-09-5
• Molecular Formula: C₁₉H₂₂N₂O₃S
• Molecular Weight: 358.461
• Mol file: 81353-09-5.mol

Synonyms:3-Hydroxy-2-(4-methoxy-phenyl)-5-(2-methylamino-ethyl)-2,3-dihydro-5H-benzo[b][1,4]thiazepin-4-one;Deacetyl N-Monodesmethyl Diltiazem;3c-hydroxy-2r-(4-methoxy-phenyl)-5-(2-methylamino-ethyl)-2,3-dihydro-5H-benzo[b][1,4]thiazepin-4-one;

Chemical Property of O-Desacetyl-N-desmethyl Diltiazem

Chemical Property:

• Vapor Pressure: 7.8E-16mmHg at 25°C
• Melting Point: 134-136oC (dec.)
• Boiling Point: 612oC at 760 mmHg
• Flash Point: 323.9oC
• PSA: 87.10000
• Density: 1.239g/cm3
• LogP: 2.91140
• Storage Temp.: -20°C Freezer, Under Inert Atmosphere
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly, Heated)

Purity/Quality:

98%min ^*data from raw suppliers

O-Desacetyl-N-desmethyl Diltiazem ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: O-Desacetyl-N-desmethyl Diltiazem (Diltiazem EP Impurity G) is a metabolite of Diltiazem (D460620).

Technology Process of O-Desacetyl-N-desmethyl Diltiazem

There total 1 articles about O-Desacetyl-N-desmethyl Diltiazem 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:

3c-hydroxy-2r-(4-methoxy-phenyl)-2,3-dihydro-5H-benzo[b][1,4]thiazepin-4-one (27068-88-8,30825-34-4,42399-49-5,42399-51-9,89646-44-6,101143-20-8,107438-58-4,132830-16-1,132830-17-2) + benzyl (2-chloroethyl)methylcarbamate (68767-11-3) → 3c-hydroxy-2r-(4-methoxy-phenyl)-5-(2-methylamino-ethyl)-2,3-dihydro-5H-benzo[b][1,4]thiazepin-4-one (81353-09-5,86408-40-4,86408-44-8,89596-19-0,134506-04-0)

Guidance literature:

Multistep reaction; (i) NaH, DMSO, (ii) /BRN= 5388283/, (iii) aq. HBr, AcOH;

DOI:10.1248/cpb.26.2889

upstream raw materials:

3c-hydroxy-2r-(4-methoxy-phenyl)-2,3-dihydro-5H-benzo[b][1,4]thiazepin-4-one

benzyl (2-chloroethyl)methylcarbamate