Nufenoxole

Base Information

Chemical Name:Nufenoxole
CAS No.:57726-65-5
Molecular Formula:C₂₅H₂₉N₃O
Molecular Weight:387.525
Hs Code.:
UNII:39ER7N857V
DSSTox Substance ID:DTXSID80206427
Nikkaji Number:J12.620I
Wikipedia:Nufenoxole
Wikidata:Q27256892
NCI Thesaurus Code:C81495
ChEMBL ID:CHEMBL3989894
Mol file:57726-65-5.mol

Synonyms:nufenoxole;SC-27166

Suppliers and Price of Nufenoxole

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
NUFENOXOLE 95.00%
5MG
$ 497.53

Total 5 raw suppliers

Chemical Property of Nufenoxole

Chemical Property:

Vapor Pressure:1.28E-12mmHg at 25°C
Melting Point:122°C
Refractive Index:1.7120 (estimate)
Boiling Point:561.1°Cat760mmHg
Flash Point:293.1°C
PSA：42.16000
Density:1.135g/cm³
LogP:4.91480
XLogP3:5.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:387.231062557
Heavy Atom Count:29
Complexity:502

Purity/Quality:

99% ^*data from raw suppliers

NUFENOXOLE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=NN=C(O1)C(CCN2CC3CCC2CC3)(C4=CC=CC=C4)C5=CC=CC=C5
Uses Antiperistaltic.

Technology Process of Nufenoxole

There total 2 articles about Nufenoxole 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:

: 57726-63-3
2,2-di-phenyl-4-(2-azabicyclo[2. 2. 2]oct-2-yl)butyronitrile

: 108-24-7
acetic anhydride

: 57726-65-5
2-[3-(5-methyl-[1,3,4]oxadiazol-2-yl)-3,3-diphenyl-propyl]-2-aza-bicyclo[2.2.2]octane

Guidance literature:: Multistep reaction; (i) NaN₃, NH₄Cl, LiCl, DMF, (ii) /BRN= 385737/, Py;
DOI:10.1021/jm00232a010

Reference yield:

: 57726-65-5
2-[3-(5-methyl-[1,3,4]oxadiazol-2-yl)-3,3-diphenyl-propyl]-2-aza-bicyclo[2.2.2]octane

Guidance literature:: 1)2,2-Diphenyl-4-(2-azabicyclo<2,2,2>oct-2-yl)-butyronitril,1)NaN3 i. Gegenw. v. NH4Cl/LiCl, 2)Acetanhydrid (bzw.Acetylchlorid) i. Pyridin;

upstream raw materials:

2,2-di-phenyl-4-(2-azabicyclo[2. 2. 2]oct-2-yl)butyronitrile

acetic anhydride

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