2-(Methylsulfonyl)-10h-phenothiazine

Base Information

• Chemical Name: 2-(Methylsulfonyl)-10h-phenothiazine
• CAS No.: 23503-68-6
• Molecular Formula: C13H11 N O2 S2
• Molecular Weight: 277.368
• Hs Code.: 2934300000
• European Community (EC) Number: 245-701-4
• DSSTox Substance ID: DTXSID30178069
• Nikkaji Number: J228.983K
• Wikidata: Q83048402
• ChEMBL ID: CHEMBL4748156
• Mol file: 23503-68-6.mol

Synonyms:2-(methylsulfonyl)-10h-phenothiazine;23503-68-6;2-methylsulfonyl-10H-phenothiazine;2-(Methylsulphonyl)-10H-phenothiazine;10H-Phenothiazine, 2-(methylsulfonyl)-;C13H11NO2S2;EINECS 245-701-4;10H-PHENOTHIAZINE, 2-(METHYLSULFONYL);2-methanesulfonyl-10H-phenothiazine;Sulforidazine M (ring);SCHEMBL8941201;CHEMBL4748156;DTXSID30178069;MFCD20926232;AKOS015951003;DS-18530;CS-0100723;FT-0672200;A878225

Chemical Property of 2-(Methylsulfonyl)-10h-phenothiazine

Chemical Property:

• Vapor Pressure: 4.44E-11mmHg at 25°C
• Melting Point: 156.5-158.0 °C
• Boiling Point: 524.1°Cat760mmHg
• PKA: -3.17±0.20(Predicted)
• Flash Point: 270.8°C
• PSA: 79.85000
• Density: 1.363g/cm³
• LogP: 4.51710
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 277.02312094
• Heavy Atom Count: 18
• Complexity: 404

Purity/Quality:

99.9% ^*data from raw suppliers

2-(Methylsulfonyl)Phenothiazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2

Technology Process of 2-(Methylsulfonyl)-10h-phenothiazine

There total 15 articles about 2-(Methylsulfonyl)-10h-phenothiazine 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: 91.3%

C14H12BrNO3S2 → 2-(methylsulfonyl)-10H-phenothiazine (23503-68-6)

Guidance literature:

With potassium hydroxide; In ethanol; dimethyl sulfoxide; at 140 - 172 ℃; for 6.6h;

Reference yield: 87.0%

ortho-difluorobenzene (367-11-3) + 2-amino-4-methanesulfonylthiophenol → 2-(methylsulfonyl)-10H-phenothiazine (23503-68-6)

Guidance literature:

With iron(III) chloride hexahydrate; N,N,N',N'-tetramethyl-1,8-diaminonaphthalene; potassium carbonate; In N,N-dimethyl-formamide; at 110 ℃; for 6h; Temperature; Reagent/catalyst; Inert atmosphere;

Reference yield: 80.0%

2‐(2-fluorophenylthio)-5-(methylsulfonyl)aniline (129846-94-2) → 2-(methylsulfonyl)-10H-phenothiazine (23503-68-6)

Guidance literature:

With sodium hydride; In dimethyl sulfoxide; at 90 ℃; for 4h;

upstream raw materials:

Phenyl-(3-methylsulfonyl-phenyl)-amin

2-(2-bromo-phenylsulfanyl)-5-methanesulfonyl-aniline

2‐(2-fluorophenylthio)-5-(methylsulfonyl)aniline

2-(2-fluorophenylthio)-5-(methylsulfonyl)nitrobenzene

Downstream raw materials:

metopimazine

10-<2-(1-methylpiperidin-2-on-6-yl)ethyl>-2-methylsulfonyl-10H-phenothiazine

Refernces

• 1、 -. "New process for preparing metopimazine". Paragraph 0049; 0050; 0056. . Retrieved 2019/01/14.
• 2、 -. "Preparation method of 2-(methyl sulphonyl)-10H-phenothiazine". . . Retrieved 2017/02/02.