10H-phenothiazine 5-oxide

Base Information

• Chemical Name: 10H-phenothiazine 5-oxide
• CAS No.: 1207-71-2
• Molecular Formula: C12H9 N O S
• Molecular Weight: 215.276
• Hs Code.: 2934300000
• European Community (EC) Number: 634-240-8
• NSC Number: 3554
• UNII: 8SVJ4R3Y3D
• DSSTox Substance ID: DTXSID0074471
• Nikkaji Number: J40.744E
• Wikidata: Q27216086
• ChEMBL ID: CHEMBL1396515
• Mol file: 1207-71-2.mol

Synonyms:10H-phenothiazine 5-oxide;1207-71-2;Phenothiazine 5-oxide;Phenothiazine, 5-oxide;10H-Phenothiazine, 5-oxide;Phenothiazine-5-oxide;Phenothiazine S-oxide;USAF DO-16;AI3-17437;NSC 3554;BRN 0152295;NSC-3554;SR-01000852665;4-27-00-01215 (Beilstein Handbook Reference);SR-01000852665-2;10H-Phenothiazine,5-oxide;10H-phenothiazine5-oxide;8SVJ4R3Y3D;cid_71014;MLS001242794;SCHEMBL342511;CHEMBL1396515;DTXSID0074471;10H-5|E?-phenothiazin-5-one;BDBM65852;NSC3554;CHEBI:125466;10H-5lambda4-phenothiazin-5-one;HMS2201K15;HMS3341B02;BAA20771;MFCD00053824;STK802590;AKOS000281841;AT27299;NCGC00247391-01;BS-50659;SMR000841349;LS-105635;EN300-309225;Q27216086;Z1509140237

Chemical Property of 10H-phenothiazine 5-oxide

Chemical Property:

• Vapor Pressure: 1.03E-07mmHg at 25°C
• Melting Point: >175°C (dec.)
• Boiling Point: 433.3°C at 760 mmHg
• Flash Point: 215.9°C
• PSA: 48.31000
• Density: 1.44g/cm³
• LogP: 3.91400
• Storage Temp.: Room Temperature, under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly, Heated)
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 215.04048508
• Heavy Atom Count: 15
• Complexity: 244

Purity/Quality:

98%,99%, ^*data from raw suppliers

10H-Phenothiazine5-Oxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)NC3=CC=CC=C3S2=O
• Uses: 10H-Phenothiazine 5-Oxide is a by-product in the synthesis of Phenothiazine S,S-Dioxide (P297600). Phenothiazine S,S-Dioxide is a derivative of Phenothiazine (P318040), a key component of antipsychotic and antihistaminic drugs.

Technology Process of 10H-phenothiazine 5-oxide

There total 4 articles about 10H-phenothiazine 5-oxide 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: 15.0%

promazine (58-40-2) → 3H-Phenothiazin-3-one (581-30-6) + sulfoxyde de phenothiazine (1207-71-2) + promazine sulfoxide (146-21-4)

Guidance literature:

With bis(acetylacetonate)oxovanadium; iodoxybenzene; In benzene; for 4h; Product distribution; Heating;

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

Reference yield:

10H-phenothiazine (92-84-2) → 3H-Phenothiazin-3-one (581-30-6) + sulfoxyde de phenothiazine (1207-71-2) + 2-chlorophenothiazine (92-39-7)

Guidance literature:

With ozone; In dichloromethane; at 20 ℃; Product distribution; Mechanism; oth. solvent, oth. temperature, addition of cumene and triphenylmethane;

DOI:10.1246/bcsj.57.2526

upstream raw materials:

10H-phenothiazine

promazine

Downstream raw materials:

10H-phenothiazine

9H-carbazole

3-anilinophenothiazine

3,7-dibromo-10H-phenothiazine

Refernces

• 1、 Bakker, Martin,Van Rantwijk, Fred,Sheldon, Roger A.. "Metal substitution in thermolysin: Catalytic properties of tungstate thermolysin in sulfoxidation with H2O2". . p. 622 - 625. Retrieved 2007/10/03.
• 2、 Barret,Pautet,Daudon. "Biomimetic oxidation of some nitrogen compounds by iodylbenzene plus vanadyl acetylacetonate". . p. 285 - 286. Retrieved 2007/10/02.