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Nebicapone

Base Information Edit
  • Chemical Name:Nebicapone
  • CAS No.:274925-86-9
  • Molecular Formula:C14H11 N O5
  • Molecular Weight:273.245
  • Hs Code.:
  • UNII:NM2KXJ990T
  • DSSTox Substance ID:DTXSID30181912
  • Nikkaji Number:J1.568.763K
  • Wikidata:Q21547145
  • NCI Thesaurus Code:C83923
  • Metabolomics Workbench ID:155128
  • ChEMBL ID:CHEMBL160038
  • Mol file:274925-86-9.mol
Nebicapone

Synonyms:1-(3,4-dihydroxy-5-nitrophenyl)-2-phenylethanone;BIA 3-202;nebicapone

Suppliers and Price of Nebicapone
Supply Marketing:Edit
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
  • BIA-3-202 95.00%
  • 10G
  • $ 774.90
Total 2 raw suppliers
Chemical Property of Nebicapone Edit
Chemical Property:
  • Melting Point:178–179°C 
  • Boiling Point:454.2±45.0 °C(Predicted) 
  • PKA:5.01±0.38(Predicted) 
  • PSA:103.35000 
  • Density:1.435±0.06 g/cm3(Predicted) 
  • LogP:2.95460 
  • XLogP3:2.9
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:5
  • Rotatable Bond Count:3
  • Exact Mass:273.06372245
  • Heavy Atom Count:20
  • Complexity:361
Purity/Quality:

98% *data from raw suppliers

BIA-3-202 95.00% *data from reagent suppliers

Safty Information:
  • Pictogram(s):  
  • Hazard Codes: 
MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:C1=CC=C(C=C1)CC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-]
  • Recent ClinicalTrials:Effect of BIA 3-202 on the Pharmacokinetics and Pharmacodynamics of Warfarin
  • Recent EU Clinical Trials:A MULTICENTRE, DOUBLE-BLIND, RANDOMIZED, ACTIVE- AND PLACEBO-CONTROLLED TRIAL TO INVESTIGATE THE EFFICACY AND TOLERABILITY OF NEBICAPONE IN PARKINSON’S DISEASE PATIENTS WITH “WEARING-OFF” PHENOMENON TREATED WITH LEVODOPA/CARBIDOPA OR LEVODOPA/BENSERAZIDE
Technology Process of Nebicapone

There total 8 articles about Nebicapone 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:
Guidance literature:
With pyridine; aluminium trichloride; In ethyl acetate; at 77 ℃; for 2h;
DOI:10.1081/SCC-120002413
Guidance literature:
Multi-step reaction with 5 steps
1: 93 percent / diethyl ether; tetrahydrofuran / 1 h / 20 °C
2: 91 percent / NaO-tBu; cyclohexanone / toluene / 0.5 h / Heating
3: 94 percent / ammonium formate / 10percent Pd/C / methanol / 0.5 h / Heating
4: 71 percent / 70percent HNO3; AcOH / 0.5 h / 20 °C
5: 99 percent / AlCl3; pyridine / ethyl acetate / 2 h / Heating
With pyridine; aluminium trichloride; ammonium formate; cyclohexanone; acetic acid; sodium t-butanolate; 10percent Pd/C; In tetrahydrofuran; methanol; diethyl ether; ethyl acetate; toluene; 2: Oppenauer oxidation;
DOI:10.1021/jm0109964
Guidance literature:
Multi-step reaction with 3 steps
1: 94 percent / ammonium formate / 10percent Pd/C / methanol / 0.5 h / Heating
2: 71 percent / 70percent HNO3; AcOH / 0.5 h / 20 °C
3: 99 percent / AlCl3; pyridine / ethyl acetate / 2 h / Heating
With pyridine; aluminium trichloride; ammonium formate; acetic acid; 10percent Pd/C; In methanol; ethyl acetate;
DOI:10.1021/jm0109964
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