Dimethyl 2,6-dimethyl-4-(2-nitrosophenyl)pyridine-3,5-dicarboxylate

Base Information

• Chemical Name: Dimethyl 2,6-dimethyl-4-(2-nitrosophenyl)pyridine-3,5-dicarboxylate
• CAS No.: 50428-14-3
• Molecular Formula: C17H16 N2 O5
• Molecular Weight: 330.34
• Hs Code.: 2933399090
• European Community (EC) Number: 641-488-0
• UNII: 23N9NLY17F
• DSSTox Substance ID: DTXSID50198466
• Nikkaji Number: J337.750D
• Wikidata: Q83071237
• Mol file: 50428-14-3.mol

Synonyms:2,6-dimethyl-4-(2'-nitrosophenyl)-3,5-pyridinedicarboxylic acid dimethyl ester;2,6-NTP;DNPDC

Chemical Property of Dimethyl 2,6-dimethyl-4-(2-nitrosophenyl)pyridine-3,5-dicarboxylate

Chemical Property:

• Vapor Pressure: 2.97E-08mmHg at 25°C
• Melting Point: 93℃
• Boiling Point: 449°C at 760 mmHg
• PKA: 1.86±0.29(Predicted)
• Flash Point: 225.3°C
• PSA: 94.92000
• Density: 1.26g/cm³
• LogP: 3.33650
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 328.10592162
• Heavy Atom Count: 24
• Complexity: 456

Purity/Quality:

99% ^*data from raw suppliers

DehydronitrosoNifedipine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=C(C(=N1)C)C(=O)OC)C2=CC=CC=C2N=O)C(=O)OC
• General Description: Based on the literature abstracts, **2,6-Ntp (Dehydronitrosonifedipine)** is a photodegradation product of nifedipine formed via electron transfer and intramolecular proton transfer, acting as a nitroso spin trap capable of capturing carbon-centered and alkoxyl radicals. It also participates in further photochemical reactions, leading to stable covalent nitroxide radicals with unsaturated lipids or secondary products like azoxy and lactam derivatives. Its formation is central to the photochemical transformation pathway of nifedipine under light exposure.

Technology Process of Dimethyl 2,6-dimethyl-4-(2-nitrosophenyl)pyridine-3,5-dicarboxylate

There total 15 articles about Dimethyl 2,6-dimethyl-4-(2-nitrosophenyl)pyridine-3,5-dicarboxylate 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: 100.0%

nifedipine (21829-25-4) → dimethyl 2,6-dimethyl-4-(2-nitrosophenyl)pyridine-3,5-dicarboxylate (50428-14-3)

Guidance literature:

With phosphate buffer; In ethanol; Irradiation;

Reference yield: 94.0%

nifedipine (21829-25-4) → 2,6-Dimethyl-4-(2-nitrosophenyl)-3,5-pyridinedicarboxylic acid dimethyl estter (50428-14-3)

Guidance literature:

In acetonitrile; for 0.5h; Photolysis; Capped tube;

Reference yield: 94.0%

nifedipine (21829-25-4) → dimethyl 2,6-dimethyl-4-(2-nitrosophenyl)pyridine-3,5-dicarboxylate (50428-14-3) + nifedipine (67035-22-7)

Guidance literature:

In chloroform; Product distribution; Mechanism; Irradiation; addition of sodium benzoate; different light conditions;

upstream raw materials:

nifedipine

methyl 1-(ethoxymethyl)-2,6-dimethyl-4-(2'-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

acetoacetic acid methyl ester

2-nitro-benzaldehyde