10H-Phenothiazine 5,5-dioxide

Base Information

• Chemical Name: 10H-Phenothiazine 5,5-dioxide
• CAS No.: 1209-66-1
• Molecular Formula: C12H9NO2S
• Molecular Weight: 231.275
• Hs Code.: 2934999090
• European Community (EC) Number: 214-907-6
• UNII: 2A1OL5D4U2
• DSSTox Substance ID: DTXSID30153058
• Nikkaji Number: J80.097J
• Wikidata: Q27254456
• ChEMBL ID: CHEMBL1334632
• Mol file: 1209-66-1.mol

Synonyms:10H-Phenothiazine 5,5-dioxide;1209-66-1;Phenothiazine 5,5-dioxide;5,5-Dioxophenothiazine;Phenothiazine, 5,5-dioxide;10H-Phenothiazine,5,5-dioxide;phenothiazine s,s-dioxide;UNII-2A1OL5D4U2;2A1OL5D4U2;10H-Phenothiazine, 5,5-dioxide;EINECS 214-907-6;SR-01000393539;SR-01000393539-5;5,5-Dioxo-10H-phenothiazine;phenothiazine-s,s-dioxide;Oprea1_610038;cid_71024;MLS001197777;10H-Phenothiazine5,5-dioxide;SCHEMBL1021854;CHEMBL1334632;BDBM65847;DTXSID30153058;HMS1652O11;HMS2852I12;BBL028607;STK862563;10H-5|E?-phenothiazine-5,5-dione;AKOS000282012;5lambda-phenothiazine-5,5(10H)-dione;NCGC00245912-01;SMR000559767;VS-08866;10H-5??-PHENOTHIAZINE-5,5-DIONE;CS-0021668;EU-0033940;SR-01000393539-1;SR-01000393539-4;Q27254456

Chemical Property of 10H-Phenothiazine 5,5-dioxide

Chemical Property:

• Vapor Pressure: 1.98E-08mmHg at 25°C
• Melting Point: 160-161 °C
• Refractive Index: 1.654
• Boiling Point: 454 °C at 760 mmHg
• PKA: -5.04±0.20(Predicted)
• Flash Point: 228.4 °C
• PSA: 54.55000
• Density: 1.371 g/cm³
• LogP: 3.79520
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 231.03539970
• Heavy Atom Count: 16
• Complexity: 332

Purity/Quality:

97% ^*data from raw suppliers

PhenothiazineS,S-Dioxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)NC3=CC=CC=C3S2(=O)=O

Technology Process of 10H-Phenothiazine 5,5-dioxide

There total 14 articles about 10H-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: 99.0%

10H-phenothiazine (92-84-2) → phenothiazine 5,5-dioxide (1209-66-1)

Guidance literature:

With dihydrogen peroxide; In acetonitrile; at 60 ℃; for 1h;

DOI:10.1002/adma.201906437

Reference yield:

5,5-dioxo-5H-5λ6-phenothiazine-10-carboxylic acid ethyl ester (108621-69-8) → phenothiazine 5,5-dioxide (1209-66-1)

Guidance literature:

With potassium hydroxide;

DOI:10.1021/ja01239a027

Reference yield:

10H-phenothiazine (92-84-2) → sulfoxyde de phenothiazine (1207-71-2) + phenothiazine 5,5-dioxide (1209-66-1)

Guidance literature:

With immobilized tungstate(IV) thermolysin; dihydrogen peroxide; In tert-butyl alcohol; at 40 ℃; for 2h;

DOI:10.1139/v02-082

upstream raw materials:

10H-phenothiazine

1-(5,5-dioxido-10H-phenothiazin-10-yl)ethan-1-one

5,5-dioxo-5H-5λ⁶-phenothiazine-10-carboxylic acid ethyl ester

diphenylamine

Downstream raw materials:

9H-carbazole

10-(4 -bromophenyl)-10H-phenothiazine

10-butyl-10H-phenothiazine 5,5-dioxide