Metiazinic acid

Base Information

• Chemical Name: Metiazinic acid
• CAS No.: 13993-65-2
• Molecular Formula: C15H13 N O2 S
• Molecular Weight: 271.34
• Hs Code.: 2934300000
• European Community (EC) Number: 237-795-0
• UNII: 12I0HHE2ZY
• DSSTox Substance ID: DTXSID7023308
• Nikkaji Number: J3.128C
• Wikidata: Q27114694
• NCI Thesaurus Code: C166452
• Metabolomics Workbench ID: 54462
• ChEMBL ID: CHEMBL2105269
• Mol file: 13993-65-2.mol

Synonyms:10-methyl-2-phenothiazinylacetic acid;Bayer 4512;Bayer-4512;metiazinic acid;metiazinic acid, sodium salt;R.P. 16091;R.P.-16091;Soripal

Chemical Property of Metiazinic acid

Chemical Property:

• Vapor Pressure: 4E-10mmHg at 25°C
• Melting Point: 146°
• Refractive Index: 1.7500 (estimate)
• Boiling Point: 482.6°C at 760 mmHg
• PKA: 4.12±0.10(Predicted)
• Flash Point: 245.7°C
• PSA: 65.84000
• Density: 1.329g/cm³
• LogP: 3.61120
• Water Solubility.: 31mg/L(30 oC)
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 271.06669983
• Heavy Atom Count: 19
• Complexity: 349

Purity/Quality:

98%Min ^*data from raw suppliers

METIAZINIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=CC=CC=C2SC3=C1C=C(C=C3)CC(=O)O
• Therapeutic Function: Antiinflammatory

Technology Process of Metiazinic acid

There total 4 articles about Metiazinic acid 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:

4-[(10-methyl-10H-phenothiazin-2-yl)-thioacetyl]-morpholine (13611-85-3) → Metiazinic acid (13993-65-2)

Guidance literature:

With potassium hydroxide; In ethanol; for 16h; Heating;

Reference yield:

2-Acetyl-10-methylphenothiazine (25324-52-1) → Metiazinic acid (13993-65-2)

Guidance literature:

Multi-step reaction with 2 steps

1: S / 16 h / Heating

2: aq. KOH / ethanol / 16 h / Heating

With potassium hydroxide; sulfur; In ethanol;

Reference yield:

→ Metiazinic acid (13993-65-2)

Guidance literature:

1)Phenothiazinyl-2-essigsaeure,Methanol,Methyliodid 2)KOH,Perlit J-10 3)HCl;

upstream raw materials:

4-[(10-methyl-10H-phenothiazin-2-yl)-thioacetyl]-morpholine

2-Acetyl-10-methylphenothiazine

Refernces

• 1、 -. "Derivatives of antiphlogistically effective carboxylic acids, their preparation and medicinal use". . . Retrieved 2008/06/13.
• 2、 -. "Esters and amides containing the 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetyl moiety". . . Retrieved 2008/06/13.