Troxipide

Base Information

• Chemical Name: Troxipide
• CAS No.: 30751-05-4
• Molecular Formula: C15H22N2O4
• Molecular Weight: 294.351
• Hs Code.: 2933399090
• European Community (EC) Number: 805-913-5
• UNII: W6QJX1Q00Z
• DSSTox Substance ID: DTXSID2023725
• Nikkaji Number: J22.622J
• Wikipedia: Troxipide
• Wikidata: Q4381806
• NCI Thesaurus Code: C152771
• Metabolomics Workbench ID: 154230
• ChEMBL ID: CHEMBL1566956
• Mol file: 30751-05-4.mol

Synonyms:3-(3,4,5-trimethoxybenzamido)piperidine;KU 54;KU-54;troxipide;troxipide hydrochloride

Chemical Property of Troxipide

Chemical Property:

• Appearance/Colour: white powder
• Vapor Pressure: 7.51E-07mmHg at 25°C
• Melting Point: 179-182oC
• Refractive Index: 1.546
• Boiling Point: 407.5 °C at 760 mmHg
• PKA: 13.66±0.20(Predicted)
• Flash Point: 200.3 °C
• PSA: 68.82000
• Density: 1.18 g/cm³
• LogP: 1.91390
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Solubility.: Acetonitrile (Slightly), Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 294.15795719
• Heavy Atom Count: 21
• Complexity: 326

Purity/Quality:

99% ^*data from raw suppliers

Troxipide >98.0%(HPLC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)NC2CCCNC2
• Description: Troxipide is an antiulcer agent which is suggested to actvia beneficial effects on gastric glycoprotein metabolism and blood flow.
• Uses: Troxipide is a drug used in the treatment of gastroesophageal reflux disease. It is capable of inhibiting the chemotactic migration and superoxide generation in the gastric mucosa.

Technology Process of Troxipide

There total 3 articles about Troxipide 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: 83.3%

3,4,5-trimethoxy-N-3-pyridylbenzamide (31638-96-7) → troxipide (30751-05-4,99777-81-8)

Guidance literature:

With 5%-palladium/activated carbon; hydrogen; In methanol; water; at 80 ℃; for 5h; under 15001.5 Torr; Solvent; Temperature; Pressure;

Reference yield:

Eudesmic acid (118-41-2) → troxipide (30751-05-4,99777-81-8)

Guidance literature:

Multi-step reaction with 3 steps

1: bis(trichloromethyl) carbonate / dichloromethane; N,N-dimethyl acetamide / 3 h / 30 °C

2: sodium carbonate / dichloromethane / 4 h / 40 °C

3: hydrogen; 5%-palladium/activated carbon / methanol; water / 5 h / 80 °C / 15001.5 Torr

With bis(trichloromethyl) carbonate; 5%-palladium/activated carbon; hydrogen; sodium carbonate; In methanol; dichloromethane; N,N-dimethyl acetamide; water;

Reference yield:

→ troxipide (30751-05-4,99777-81-8)

Guidance literature:

3-(3,4,5-Trimethoxybenzamid)pyridin, H2/PtO2;

upstream raw materials:

Eudesmic acid

3,4,5-trimethoxy-N-3-pyridylbenzamide

Refernces