12H-benzo[b]phenothiazine 5,5-dioxide

Base Information

• Chemical Name: 12H-benzo[b]phenothiazine 5,5-dioxide
• CAS No.: 18587-32-1
• Molecular Formula: C₁₆H₁₁NO₂S
• Molecular Weight: 281.335
• NSC Number: 116485
• DSSTox Substance ID: DTXSID20940010
• Wikidata: Q82916580

Synonyms:18587-32-1;NSC116485;DTXSID20940010;NSC-116485;5lambda~6~-Benzo[b]phenothiazine-5,5(12H)-dione

Chemical Property of 12H-benzo[b]phenothiazine 5,5-dioxide

Chemical Property:

• Vapor Pressure: 7.56E-12mmHg at 25°C
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 281.05104977
• Heavy Atom Count: 20
• Complexity: 469

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C=C3C(=CC2=C1)NC4=CC=CC=C4S3(=O)=O

Technology Process of 12H-benzo[b]phenothiazine 5,5-dioxide

There total 3 articles about 12H-benzo[b]phenothiazine 5,5-dioxide 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:

benzophenothiazine (258-08-2) → 12H-Benzophenothiazin-5-dioxid (18587-32-1)

Guidance literature:

With dihydrogen peroxide; In acetic acid; Heating;

DOI:10.1039/j39680001592

Reference yield:

12-acetyl-benzo[b]phenothiazine (7775-60-2) → 12H-Benzophenothiazin-5-dioxid (18587-32-1)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. H₂O₂ / acetic acid / Heating

2: (basic hydrolysis)

With dihydrogen peroxide; In acetic acid;

DOI:10.1039/j39680001592

Reference yield:

12-acetyl-12H-benzo[b]phenothiazine 5,5-dioxide (18587-34-3) → 12H-Benzophenothiazin-5-dioxid (18587-32-1)

Guidance literature:

(basic hydrolysis);

DOI:10.1039/j39680001592

upstream raw materials:

12-acetyl-12H-benzo[b]phenothiazine 5,5-dioxide

benzophenothiazine

12-acetyl-benzo[b]phenothiazine

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