Lansoprazole Sulfone

Base Information

• Chemical Name: Lansoprazole Sulfone
• CAS No.: 131926-99-3
• Molecular Formula: C₁₆H₁₄F₃N₃O₃S
• Molecular Weight: 385.367
• Hs Code.: 29339900
• UNII: A62FAW18P1
• DSSTox Substance ID: DTXSID80157268
• Nikkaji Number: J366.139C
• Wikidata: Q27273677
• Metabolomics Workbench ID: 42558
• ChEMBL ID: CHEMBL4520193
• Mol file: 131926-99-3.mol

Synonyms:Lansoprazole Sulfone;lansoprazole sulphone

Chemical Property of Lansoprazole Sulfone

Chemical Property:

• Melting Point: 207℃(dec.)
• Boiling Point: 555.6±60.0 °C(Predicted)
• PKA: 9.04±0.10(Predicted)
• PSA: 93.32000
• Density: 1.459±0.06 g/cm3(Predicted)
• LogP: 4.26210
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 385.07079698
• Heavy Atom Count: 26
• Complexity: 582

Purity/Quality:

97% ^*data from raw suppliers

LansoprazoleSulfone ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CN=C1CS(=O)(=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F
• Uses: A metabolite of Lansoprazole, as gastric pump inhibitor. Lansoprazole USP Related Compound A.

Technology Process of Lansoprazole Sulfone

There total 4 articles about Lansoprazole Sulfone 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: 79.0%

lansoprazole sulfide (103577-40-8) → lansoprasole (103577-45-3) + Lansoprazole sulfone (131926-99-3)

Guidance literature:

With tert.-butylhydroperoxide; vanadium acetyl acetonate; In ethanol; at 5 ℃; for 4h; Purification / work up;

Reference yield: 71.0%

lansoprazole sulfide (103577-40-8) → Lansoprazole sulfone (131926-99-3)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In methanol; chloroform; cooling;

DOI:10.1080/00397910802162934

Reference yield: 64.0%

lansoprasole (103577-45-3) → Lansoprazole sulfone (131926-99-3)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 20 ℃; for 2h;

DOI:10.1016/j.chemosphere.2005.09.003

upstream raw materials:

lansoprasole

lansoprazole sulfide