Dehydro Nisoldipine

Base Information

• Chemical Name: Dehydro Nisoldipine
• CAS No.: 103026-83-1
• Molecular Formula: C₂₀H₂₂N₂O₆
• Molecular Weight: 386.404
• Hs Code.: 2933399090
• UNII: 9878IQ2039
• DSSTox Substance ID: DTXSID50439109
• Nikkaji Number: J412.746C
• Wikidata: Q27272098
• Mol file: 103026-83-1.mol

Synonyms:Dehydro Nisoldipine;103026-83-1;Nisoldipine (m13);3-Isobutyl 5-methyl 2,6-dimethyl-4-(2-nitrophenyl)pyridine-3,5-dicarboxylate;DehydroNisoldipine-d7;UNII-9878IQ2039;5-O-methyl 3-O-(2-methylpropyl) 2,6-dimethyl-4-(2-nitrophenyl)pyridine-3,5-dicarboxylate;9878IQ2039;3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-4-(2-nitrophenyl)-, 3-methyl 5-(2-methylpropyl) ester;1329836-20-5;SCHEMBL6955248;DTXSID50439109;AKOS030240601;CS-T-51780;2,6-Dimethyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylic Acid 3-Methyl 5-(2-Methylpropyl) Ester;CS-0047720;FT-0665632;J-000858;Q27272098

Chemical Property of Dehydro Nisoldipine

Chemical Property:

• Melting Point: 78-80°C
• PSA: 111.31000
• LogP: 4.39620
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 386.14778643
• Heavy Atom Count: 28
• Complexity: 576

Purity/Quality:

97% ^*data from raw suppliers

DehydroNisoldipine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=C(C(=N1)C)C(=O)OCC(C)C)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC
• Uses: A metabolite of Nisoldipine (N489125).

Technology Process of Dehydro Nisoldipine

There total 4 articles about Dehydro Nisoldipine 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: 76.0%

nisoldipine (63675-72-9,103573-38-2,103573-36-0) → 2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylic acid methyl 2-methylpropyl ester (103026-83-1,136389-72-5,136389-74-7)

Guidance literature:

With lead(IV) acetate; In dichloromethane; acetic acid; at 20 ℃; for 1h;

DOI:10.3987/COM-04-10194

Reference yield:

nisoldipine (63675-72-9,103573-38-2,103573-36-0) + C4H9N2O2*ClH → 2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylic acid methyl 2-methylpropyl ester (103026-83-1,136389-72-5,136389-74-7)

Guidance literature:

With Britton-Robinson buffer; In water; N,N-dimethyl-formamide; at 37 ℃; pH=7.4; Kinetics;

DOI:10.1016/j.bmc.2004.01.050

Reference yield:

nisoldipine (63675-72-9,103573-38-2,103573-36-0) → 2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylic acid methyl 2-methylpropyl ester (103026-83-1,136389-72-5,136389-74-7) + (+/-)-3-Isobutyl-5-methyl-1,4-dihydro-2,6-dimethyl-4-(2-nitrosophenyl)pyridine-3,5-dicarboxylate (87375-91-5) + 2,2'-Bis(3-isobutyloxycarbonyl-5-methoxycarbonyl-2,6-dimethyl-4-pyridyl)-azobenzene-N,N'-dioxide

Guidance literature:

In ethanol; for 144h; Irradiation;

upstream raw materials:

nisoldipine

Refernces

• 1、 Yanez,Lopez-Alarcon,Camargo,Valenzuela,Squella,Nunez-Vergara. "Structural effects on the reactivity 1,4-dihydropyridines with alkylperoxyl radicals and ABTS radical cation". . p. 2459 - 2468. Retrieved 2004.
• 2、 Lopez-Alarcon,Speisky,Squella,Olea-Azar,Camargo,Nunez-Vergara, Luis J.. "Reactivity of 1,4-dihydropyridines toward SIN-1-derived peroxynitrite". . p. 1750 - 1757. Retrieved 2004.
• 3、 Salazar, Ricardo,Navarrete-Encina,Squella,Barrientos,Pardo-Jiménez,Nú?ez-Vergara, Luis J.. "Study on the oxidation of C4-phenolic-1,4-dihydropyridines and its reactivity towards superoxide radical anion in dimethylsulfoxide". experimental part. p. 841 - 852. Retrieved 2011/03/22.