3-Chloro-6,11-dihydro-5,5-dioxo-11-hydroxy-6-methyldibenzo[c,f][1,2]thiazepine

Base Information

• Chemical Name: 3-Chloro-6,11-dihydro-5,5-dioxo-11-hydroxy-6-methyldibenzo[c,f][1,2]thiazepine
• CAS No.: 26723-60-4
• Molecular Formula: C14H12ClNO3S
• Molecular Weight: 309.773
• Hs Code.: 2933990090
• European Community (EC) Number: 247-944-1
• DSSTox Substance ID: DTXSID90949535
• Nikkaji Number: J249.020J
• Mol file: 26723-60-4.mol

Synonyms:26723-60-4;3-Chloro-6,11-dihydro-5,5-dioxo-11-hydroxy-6-methyldibenzo[c,f][1,2]thiazepine;3-CHLORO-6,11-DIHYDRO-6-METHYLDIBENZO[C,F][1,2]THIAZEPIN-11-OL 5,5-DIOXIDE;3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-ol;3-Chloro-6,11-dihydro-6-methyldibenzo(c,f)(1,2)thiazepin-11-ol 5,5-dioxide;MFCD07368144;3-chloro-11-hydroxy-6-methyl-6,11-dihydrodibenzo[c,f][1,2]thiazepine 5,5-dioxide;EINECS 247-944-1;3-CHLORO-6,11-DIHYDRO-5,5-DIOXO-11-HYDROXY-6-METHYLDIBENZO[C.F][1,2]THIAZEPINE;CARBAMICACIDISOPROPYLESTER;DTXSID90949535;KBRSJPHSCOAFDR-UHFFFAOYSA-N;AC-230;AKOS015889298;DS-0472;3-Chloro-6,11-dihydro-6-methyldibenzo[c,f][1,2]thiazepin-11-ol 5,5-dioxide:;SY111787;AM20050221;CS-0151122;NS00051427;A818568;J-016526;3-Chloro-6,11-dihydro-5,5-dioxo-11-hydroxy-6-methyldibenzo[c,f][1,2]thiazepine, 95%;3-Chloro-11-hydroxy-6-methyl-6,11-dihydro-5H-5lambda~6~-dibenzo[c,f][1,2]thiazepine-5,5-dione;3-Chloro-6 pound not11-dihydro-5 pound not5-dioxo-11-hydroxy-6-methyldibenzo[c pound notf][1 pound not2]thiazepine;6-chloro-2-hydroxy-10-methyl-9lambda6-thia-10-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaene-9,9-dione

Chemical Property of 3-Chloro-6,11-dihydro-5,5-dioxo-11-hydroxy-6-methyldibenzo[c,f][1,2]thiazepine

Chemical Property:

• Vapor Pressure: 3.92E-10mmHg at 25°C
• Refractive Index: 1.66
• Boiling Point: 482.813 °C at 760 mmHg
• Flash Point: 245.797 °C
• PSA: 65.99000
• Density: 1.472 g/cm³
• LogP: 3.70600
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• Water Solubility.: 30mg/L at 25℃
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 309.0226421
• Heavy Atom Count: 20
• Complexity: 464

Purity/Quality:

99% ^*data from raw suppliers

3-Chloro-6,11-dihydro-5,5-dioxo-11-hydroxy-6-methyldibenzo[c,f][1,2]thiazepine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=CC=CC=C2C(C3=C(S1(=O)=O)C=C(C=C3)Cl)O
• Uses: 3-Chloro-6,11-dihydro-5,5-dioxo-11-hydroxy-6-methyldibenzo[c,f][1,2]thiazepine, can beused in the synthesis of Dibenzo[c,f][1,2]thiazepine derivatives.

Technology Process of 3-Chloro-6,11-dihydro-5,5-dioxo-11-hydroxy-6-methyldibenzo[c,f][1,2]thiazepine

There total 2 articles about 3-Chloro-6,11-dihydro-5,5-dioxo-11-hydroxy-6-methyldibenzo[c,f][1,2]thiazepine 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: 95.0%

8-chloro-10,10-dioxo-11-methyl-5,11-dihydrodibenzo<1,2>thiazepin-5-one (26638-53-9) → 5-hydroxy-8-chloro-10,10-dioxo-11-methyl-5,11-dihydrodibenzo<1,2>thiazepine (26723-60-4)

Guidance literature:

8-chloro-10,10-dioxo-11-methyl-5,11-dihydrodibenzo<1,2>thiazepin-5-one; With sodium tetrahydroborate; In methanol; at 0 - 20 ℃;

With methanol;

Reference yield:

→ 5-hydroxy-8-chloro-10,10-dioxo-11-methyl-5,11-dihydrodibenzo<1,2>thiazepine (26723-60-4)

Guidance literature:

Keton V (A=H;B=8-Cl;R1=Me),NaBH4;

Reference yield: 96.0%

5-hydroxy-8-chloro-10,10-dioxo-11-methyl-5,11-dihydrodibenzo<1,2>thiazepine (26723-60-4) → 5,8-dichloro-10,10-dioxo-11-methyl-5,11-dihydrodibenzo<1,2>thiazepine (26638-66-4)

Guidance literature:

With acetyl chloride; In methanol; dichloromethane; at 0 - 35 ℃; Solvent; Reagent/catalyst; Temperature;

upstream raw materials:

8-chloro-10,10-dioxo-11-methyl-5,11-dihydrodibenzo<1,2>thiazepin-5-one

Downstream raw materials:

5,8-dichloro-10,10-dioxo-11-methyl-5,11-dihydrodibenzo<1,2>thiazepine

tianeptine

Refernces

• 1、 Dhainaut, Alain,Regnier, Gilbert,Atassi, Ghanem,Pierre, Alain,Leonce, Stephane,et al.. "New Triazine Derivatives as Potent Modulators of Multidrug Resistance". . p. 2481 - 2496. Retrieved 2007/10/02.