Methyl 2,3,4,5-tetrahydro-7-chloro-4-oxo-1,5-benzothiazepine-2-acetate

Base Information

• Chemical Name: Methyl 2,3,4,5-tetrahydro-7-chloro-4-oxo-1,5-benzothiazepine-2-acetate
• CAS No.: 86628-27-5
• Molecular Formula: C₁₂H₁₂ClNO₃S
• Molecular Weight: 285.751
• DSSTox Substance ID: DTXSID901006969

Synonyms:BRN 4512307;Methyl 2,3,4,5-tetrahydro-7-chloro-4-oxo-1,5-benzothiazepine-2-acetate;1,5-Benzothiazepine-2-acetic acid, 2,3,4,5-tetrahydro-7-chloro-4-oxo-, methyl ester;86628-27-5;DTXSID901006969;LS-40532;Methyl (7-chloro-4-hydroxy-2,3-dihydro-1,5-benzothiazepin-2-yl)acetate

Chemical Property of Methyl 2,3,4,5-tetrahydro-7-chloro-4-oxo-1,5-benzothiazepine-2-acetate

Chemical Property:

• Vapor Pressure: 4.33E-08mmHg at 25°C
• Boiling Point: 444.3°Cat760mmHg
• Flash Point: 222.5°C
• Density: 1.325g/cm³
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 285.0226421
• Heavy Atom Count: 18
• Complexity: 339

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(=O)CC1CC(=O)NC2=C(S1)C=CC(=C2)Cl

Technology Process of Methyl 2,3,4,5-tetrahydro-7-chloro-4-oxo-1,5-benzothiazepine-2-acetate

There total 1 articles about Methyl 2,3,4,5-tetrahydro-7-chloro-4-oxo-1,5-benzothiazepine-2-acetate 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:

(6-Chloro-4-oxo-thiochroman-2-yl)-acetic acid methyl ester (86628-21-9) → (2-Chloro-9-oxo-6,7,8,9-tetrahydro-5-thia-8-aza-benzocyclohepten-6-yl)-acetic acid methyl ester (86628-24-2) + (7-Chloro-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-2-yl)-acetic acid methyl ester (86628-27-5)

Guidance literature:

With sodium azide; sulfuric acid; In benzene; Yield given. Yields of byproduct given; 1) 0-5 deg C 2) room temperature;

upstream raw materials:

(6-Chloro-4-oxo-thiochroman-2-yl)-acetic acid methyl ester

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