Benzo[a]phenothiazin-5-one

Base Information

• Chemical Name: Benzo[a]phenothiazin-5-one
• CAS No.: 25947-04-0
• Molecular Formula: C16H9NOS
• Molecular Weight: 263.31400
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID80388419
• Nikkaji Number: J444.336E
• Wikidata: Q82183378
• Mol file: 25947-04-0.mol

Synonyms:benzo[a]phenothiazin-5-one;5H-Benzo[a]phenothiazin-5-one;25947-04-0;SCHEMBL5561460;DTXSID80388419

Chemical Property of Benzo[a]phenothiazin-5-one

Chemical Property:

• PSA: 58.20000
• LogP: 3.91450
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 263.04048508
• Heavy Atom Count: 19
• Complexity: 467

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)C=C3C2=NC4=CC=CC=C4S3

Technology Process of Benzo[a]phenothiazin-5-one

There total 14 articles about Benzo[a]phenothiazin-5-one 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: 52.0%

2-amino-benzenethiol (137-07-5) + [1,4]naphthoquinone (130-15-4) → 5H-Benzophenothiazin-5-one (25947-04-0)

Guidance literature:

2-amino-benzenethiol; [1,4]naphthoquinone; With oxygen; In methanol; at 22 ℃; for 2h; pH=5;

With Trametes villosa laccase; In methanol; at 22 ℃; for 4h; pH=5; Reagent/catalyst; Enzymatic reaction;

DOI:10.1016/j.tetlet.2016.07.016

Reference yield: 20.0%

1,4-Dihydroxynaphthalene (571-60-8) + 2-amino-benzenethiol (137-07-5) → 5H-Benzophenothiazin-5-one (25947-04-0)

Guidance literature:

1,4-Dihydroxynaphthalene; With Trametes villosa laccase; oxygen; In methanol; at 22 ℃; for 2h; pH=5; Enzymatic reaction;

2-amino-benzenethiol; In methanol; at 22 ℃; for 4h; pH=5; Enzymatic reaction;

DOI:10.1016/j.tetlet.2016.07.016

Reference yield:

6-chloro-5H-benzophenothiazin-5-one (25947-05-1) → 5H-Benzophenothiazin-5-one (25947-04-0)

Guidance literature:

With pyridine; sodium dithionite; Yield given. Multistep reaction; 1.) benzene, dioxane, water, 20 min, 2.) 2.5 h, reflux;

DOI:10.1007/BF00799024

upstream raw materials:

2-hydroxynaphtho-1,4-quinone

2-amino-benzenethiol

6-bromo-5H-benzophenothiazin-5-one

6-chloro-5H-benzophenothiazin-5-one

Downstream raw materials:

15,16-dithia-5,10-diazahexaphene

6-Butoxybenzophenothiazin-5-one

6-methoxy-5H-benzophenothiazin-5-one

6-ethoxy-5H-benzophenothiazin-5-one