3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-(2-methoxyethyl) ester

Base Information

• Chemical Name: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-(2-methoxyethyl) ester
• CAS No.: 74936-76-8
• Molecular Formula: C18H20 N2 O7
• Molecular Weight: 376.366
• UNII: VU2E1E93MI
• Wikidata: Q27292018
• Mol file: 74936-76-8.mol

Synonyms:74936-76-8;W-2100;3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-(2-methoxyethyl) ester;VU2E1E93MI;W 2100;5-(2-methoxyethoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic Acid;UNII-VU2E1E93MI;SCHEMBL3065410;AKOS040754392;Q27292018;5-((2-Methoxyethoxy)carbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid

Chemical Property of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-(2-methoxyethyl) ester

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 376.12705098
• Heavy Atom Count: 27
• Complexity: 678

Purity/Quality:

99%, ^*data from raw 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)OCCOC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

Technology Process of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-(2-methoxyethyl) ester

There total 8 articles about 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-(2-methoxyethyl) ester 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: 96.0%

J-6-163 (75130-29-9,118934-79-5,118934-80-8) → 5-((2-methoxyethoxy)carbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid (74936-76-8)

Guidance literature:

With sodium sulfide; In methanol; dichloromethane; for 5h; Ambient temperature;

DOI:10.1248/cpb.42.1579

Reference yield:

→ (E/Z)-2-methoxyethyl 2-(3-nitrobenzylidene)-acetoacetate (39562-22-6) + 5-((2-methoxyethoxy)carbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid (74936-76-8)

Guidance literature:

Reference yield:

2-methoxyethyl-3-oxobutanoate (22502-03-0) → 5-((2-methoxyethoxy)carbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid (74936-76-8)

Guidance literature:

Multi-step reaction with 2 steps

1: propan-2-ol / 5 h / Heating

2: 96 percent / Na₂S / methanol; CH₂Cl₂ / 5 h / Ambient temperature

With sodium sulfide; In methanol; dichloromethane; isopropyl alcohol;

DOI:10.1248/cpb.42.1579

upstream raw materials:

J-6-163

2-methoxyethyl-3-oxobutanoate

3-nitro-benzaldehyde

(E/Z)-2-methoxyethyl 2-(3-nitrobenzylidene)-acetoacetate

Refernces

• 1、 -. "1,4-dihydropyridine derivatives". . . Retrieved 2008/06/13.
• 2、 -. "Antihypertensive 1,4-dihydropyridines having a conjugated ester". . . Retrieved 2008/06/13.