3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-chloro-6-methyl-4-(3-nitrophenyl)-, 5-(2-(4-(diphenylmethyl)-1-piperazinyl)ethyl) 3-methyl ester

Base Information

• Chemical Name: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-chloro-6-methyl-4-(3-nitrophenyl)-, 5-(2-(4-(diphenylmethyl)-1-piperazinyl)ethyl) 3-methyl ester
• CAS No.: 107610-45-7
• Molecular Formula: C₃₄H₃₅ClN₄O₆
• Molecular Weight: 631.128
• DSSTox Substance ID: DTXSID60910378
• Mol file: 107610-45-7.mol

Synonyms:SUN 4752;107610-45-7;3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-chloro-6-methyl-4-(3-nitrophenyl)-, 5-(2-(4-(diphenylmethyl)-1-piperazinyl)ethyl) 3-methyl ester;C34H35ClN4O6;SCHEMBL7264761;DTXSID60910378;HNVFSDOPQBVHEU-UHFFFAOYSA-N;C34-H35-Cl-N4-O6;LS-131194;5-[2-(4-Benzhydrylpiperazin-1-yl)ethyl]oxycarbonyl-2-chloro-3-methoxycarbonyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine;5-{2-[4-(Diphenylmethyl)piperazin-1-yl]ethyl} 3-methyl 2-chloro-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Chemical Property of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-chloro-6-methyl-4-(3-nitrophenyl)-, 5-(2-(4-(diphenylmethyl)-1-piperazinyl)ethyl) 3-methyl ester

Chemical Property:

• Vapor Pressure: 2.5E-21mmHg at 25°C
• Boiling Point: 732.7°C at 760 mmHg
• Flash Point: 396.9°C
• Density: 1.35g/cm³
• XLogP3: 6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 11
• Exact Mass: 630.2245125
• Heavy Atom Count: 45
• Complexity: 1100

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(C(=C(N1)Cl)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Technology Process of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-chloro-6-methyl-4-(3-nitrophenyl)-, 5-(2-(4-(diphenylmethyl)-1-piperazinyl)ethyl) 3-methyl ester

There total 5 articles about 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-chloro-6-methyl-4-(3-nitrophenyl)-, 5-(2-(4-(diphenylmethyl)-1-piperazinyl)ethyl) 3-methyl 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: 52.0%

5-[2-(4-benzhydrylpiperazin-1-yl)ethyl]oxycarbonyl-2-hydroxy-3-methoxycarbonyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine (107610-30-0) → 5-<2-(4-benzhydrylpiperazin-1-yl)ethoxycarbonyl>-2-chloro-3-methoxycarbonyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine (107610-45-7)

Guidance literature:

With trichlorophosphate; for 3h; Heating;

DOI:10.1248/cpb.37.2117

Reference yield:

di-isopropyl ether (108-20-3) + 5-[2-(4-benzhydrylpiperazin-1-yl)ethyl]oxycarbonyl-2-hydroxy-3-methoxycarbonyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine (107610-30-0) → 5-<2-(4-benzhydrylpiperazin-1-yl)ethoxycarbonyl>-2-chloro-3-methoxycarbonyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine (107610-45-7)

Guidance literature:

In hexane; chloroform; trichlorophosphate;

Reference yield:

2-(4-diphenylmethyl-1-piperazinyl)ethyl acetoacetate (89226-49-3) → 5-<2-(4-benzhydrylpiperazin-1-yl)ethoxycarbonyl>-2-chloro-3-methoxycarbonyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine (107610-45-7)

Guidance literature:

Multi-step reaction with 4 steps

1: 28percent NH₄OH, / methanol; H₂O / 16 h / Heating

2: methanol / 4.5 h / Heating

3: 94 percent / Et₃N, / methanol / 16 h / Heating

4: 52 percent / POCl₃, / 3 h / Heating

With ammonium hydroxide; triethylamine; trichlorophosphate; In methanol; water;

DOI:10.1248/cpb.37.2117

upstream raw materials:

5-[2-(4-benzhydrylpiperazin-1-yl)ethyl]oxycarbonyl-2-hydroxy-3-methoxycarbonyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine

2-(4-diphenylmethyl-1-piperazinyl)ethyl acetoacetate

2-(4-diphenylmethyl-1-piperazinyl)ethyl 3-aminocrotonate

di-isopropyl ether

Refernces

• 1、 -. "Novel 1,4-dihydropyridine derivatives, process for preparing the same, and agents for treating disorders of circulatory system". . . Retrieved 2008/06/13.