3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((methyl(phenylmethoxy)amino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(2-methylphenyl)-1-piperazinyl)ethyl ester, monohydrochloride

Base Information

Chemical Name:3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((methyl(phenylmethoxy)amino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(2-methylphenyl)-1-piperazinyl)ethyl ester, monohydrochloride
CAS No.:133147-22-5
Molecular Formula:C₃₆H₄₁N₅O₆*ClH
Molecular Weight:676.212
Hs Code.:
DSSTox Substance ID:DTXSID70927977

3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((methyl(phenylmethoxy)amino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(2-methylphenyl)-1-piperazinyl)ethyl ester, monohydrochloride

Synonyms:133147-22-5;3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((methyl(phenylmethoxy)amino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(2-methylphenyl)-1-piperazinyl)ethyl ester, monohydrochloride;C36H41N5O6.ClH;DTXSID70927977;C36-H41-N5-O6.Cl-H;LS-130869;2-[4-(2-Methylphenyl)piperazin-1-yl]ethyl 5-[(benzyloxy)(methyl)carbamoyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate--hydrogen chloride (1/1)

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Chemical Property of 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((methyl(phenylmethoxy)amino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(2-methylphenyl)-1-piperazinyl)ethyl ester, monohydrochloride

Chemical Property:

Vapor Pressure:7.4E-23mmHg at 25°C
Boiling Point:757.8°C at 760 mmHg
Flash Point:412.1°C
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:11
Exact Mass:675.2823618
Heavy Atom Count:48
Complexity:1170

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=CC=C1N2CCN(CC2)CCOC(=O)C3=C(NC(=C(C3C4=CC(=CC=C4)[N+](=O)[O-])C(=O)N(C)OCC5=CC=CC=C5)C)C.Cl

Technology Process of 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((methyl(phenylmethoxy)amino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(2-methylphenyl)-1-piperazinyl)ethyl ester, monohydrochloride

There total 3 articles about 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((methyl(phenylmethoxy)amino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(2-methylphenyl)-1-piperazinyl)ethyl ester, monohydrochloride 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:

: 133146-89-1
N-Benzyloxy-N-methyl-3-oxo-butyramide

: 133147-22-5
5-(Benzyloxy-methyl-carbamoyl)-2,6-dimethyl-4-(3-nitro-phenyl)-1,4-dihydro-pyridine-3-carboxylic acid 2-(4-o-tolyl-piperazin-1-yl)-ethyl ester; hydrochloride

Guidance literature:: Multi-step reaction with 2 steps

1: 83 percent / methanol / 8 h / Ambient temperature

2: 2) 0.73percent HCl / 1) EtOH, 5h, reflux, 2) Et₂O

With hydrogenchloride; In methanol;

Reference yield:

: 71925-14-9
O-benzyl-N-methylhydroxylamine hydrochloride

: 133147-22-5
5-(Benzyloxy-methyl-carbamoyl)-2,6-dimethyl-4-(3-nitro-phenyl)-1,4-dihydro-pyridine-3-carboxylic acid 2-(4-o-tolyl-piperazin-1-yl)-ethyl ester; hydrochloride

Guidance literature:: Multi-step reaction with 3 steps

1: 56 percent / NEt₃ / toluene; methanol / 0.5 h / 0 - 5 °C

2: 83 percent / methanol / 8 h / Ambient temperature

3: 2) 0.73percent HCl / 1) EtOH, 5h, reflux, 2) Et₂O

With hydrogenchloride; triethylamine; In methanol; toluene;