roflumilast N-oxide

Base Information

• Chemical Name: roflumilast N-oxide
• CAS No.: 292135-78-5
• Molecular Formula: C17H14Cl2F2N2O4
• Molecular Weight: 419.20700
• European Community (EC) Number: 835-618-7
• UNII: F08MQ6CZCS
• DSSTox Substance ID: DTXSID80433059
• Nikkaji Number: J1.523.682E
• Wikidata: Q27277472
• ChEMBL ID: CHEMBL4082392
• Mol file: 292135-78-5.mol

Synonyms:3-(Cyclopropylmethoxy)-N-(3,5-dichloro-1-oxido-4-pyridinyl)-4-(difluoromethoxy)benzamide;roflumilast N-oxide

Chemical Property of roflumilast N-oxide

Chemical Property:

• Melting Point: 181 °C
• Boiling Point: 519.7±50.0 °C(Predicted)
• PKA: 9.19±0.70(Predicted)
• PSA: 73.05000
• Density: 1.56±0.1 g/cm3(Predicted)
• LogP: 4.16350
• Storage Temp.: -20?C Freezer
• Solubility.: Chloroform, Ethyl Acetate
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 418.0298686
• Heavy Atom Count: 27
• Complexity: 645

Purity/Quality:

99% ^*data from raw suppliers

Roflumilast N-Oxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1COC2=C(C=CC(=C2)C(=O)N=C3C(=CN(C=C3Cl)O)Cl)OC(F)F
• Uses: Roflumilast-N-oxide is the active metabolite of Roflumilast (R639700).

Technology Process of roflumilast N-oxide

There total 1 articles about roflumilast N-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: 93.0%

roflumilast (162401-32-3) → roflumilast N-oxide (292135-78-5)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In chloroform; at 20 ℃; for 44h; Product distribution / selectivity;

upstream raw materials:

roflumilast

Refernces

• 1、 -. "Roflumilast N - oxide preparation method (by machine translation)". Paragraph 0048; 0049; 0050; 0051; 0052; 0053; 0054-0086. . Retrieved 2017/06/02.