Nitrendipine Propyl Ester

Base Information

• Chemical Name: Nitrendipine Propyl Ester
• CAS No.: 225785-54-6
• Molecular Formula: C₁₉H₂₂N₂O₆
• Molecular Weight: 374.393
• UNII: RE4UWZ927G
• ChEMBL ID: CHEMBL2261260
• Mol file: 225785-54-6.mol

Synonyms:Nitrendipine Propyl Ester;225785-54-6;3-O-methyl 5-O-propyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;3-Methyl 5-propyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;starbld0003961;RE4UWZ927G;SCHEMBL7161991;CHEMBL2261260;3-methyl 5-n-propyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;3-Methyl 5-propyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate;3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-methyl 5-propyl ester;3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl propyl ester

Chemical Property of Nitrendipine Propyl Ester

Chemical Property:

• Melting Point: 143-145°C
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly, Sonicated), Methanol (Slightly)
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 374.14778643
• Heavy Atom Count: 27
• Complexity: 676

Purity/Quality:

> 95% ^*data from raw suppliers

NitrendipinePropylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C)C
• Uses: Nitrendipine Propyl Ester is an analogue of the antihypertensive drug Nitrendipine (N490150). Also, Nitrendipine Propyl Ester is an impurity of antihypertensive Lercanidipine (L179000). Lercanidipine impurity A. Nitrendipine Propyl Ester is an analogue of the antihypertensive drug Nitrendipine (N490150). Also, Nitrendipine Propyl Ester is an impurity of antihypertensive Lercanidipine (L179000). Lercanidipine impurity A.

Technology Process of Nitrendipine Propyl Ester

There total 4 articles about Nitrendipine Propyl 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: 60.2%

3-Aminocrotonsaeure-propylester (53055-18-8) + methyl 2-(3-nitrophenylmethylene)acetoacetate (39562-17-9) → 3-methyl 5-n-propyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate (225785-54-6)

Guidance literature:

In ethanol; for 6h; Reflux;

DOI:10.1007/s00044-010-9477-0

Reference yield:

acetoacetic acid methyl ester (105-45-3) → 3-methyl 5-n-propyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate (225785-54-6)

Guidance literature:

Multi-step reaction with 2 steps

1: piperidine; acetic acid / 30 °C / Neat (no solvent)

2: ethanol / 6 h / Reflux

With piperidine; acetic acid; In ethanol;

DOI:10.1007/s00044-010-9477-0

Reference yield:

3-nitro-benzaldehyde (99-61-6) → 3-methyl 5-n-propyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate (225785-54-6)

Guidance literature:

Multi-step reaction with 2 steps

1: piperidine; acetic acid / 30 °C / Neat (no solvent)

2: ethanol / 6 h / Reflux

With piperidine; acetic acid; In ethanol;

DOI:10.1007/s00044-010-9477-0

upstream raw materials:

3-Aminocrotonsaeure-propylester

methyl 2-(3-nitrophenylmethylene)acetoacetate

3-nitro-benzaldehyde

acetoacetic acid methyl ester