5-O-(2,2-dimethylpropyl) 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Base Information

Chemical Name:5-O-(2,2-dimethylpropyl) 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CAS No.:77888-06-3
Molecular Formula:C21H26N2O6
Molecular Weight:0
Hs Code.:
DSSTox Substance ID:DTXSID701113495
Nikkaji Number:J435.124J
Mol file:77888-06-3.mol

Synonyms:77888-06-3;SCHEMBL9765737;DTXSID701113495;1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic acid 3-methyl 5-(2,2-dimethylpropyl)ester;3-(2,2-Dimethylpropyl) 5-methyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate

Suppliers and Price of 5-O-(2,2-dimethylpropyl) 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 5-O-(2,2-dimethylpropyl) 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Chemical Property:

PSA：110.45000
LogP:4.44390
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:402.17908655
Heavy Atom Count:29
Complexity:741

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C(C(=C(N1)C)C(=O)OCC(C)(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC

Technology Process of 5-O-(2,2-dimethylpropyl) 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

There total 4 articles about 5-O-(2,2-dimethylpropyl) 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-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: 77.0%

: 39562-17-9
methyl 2-(3-nitrophenylmethylene)acetoacetate

: 75229-65-1
β-Aminocrotonsaeure-neopentylester

: 77888-06-3
methyl neopentyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Guidance literature:: In ethanol; for 20h; Heating;

Reference yield:

: 13562-79-3
2,2-dimethylpropyl 3-oxobutanoate

: 77888-06-3
methyl neopentyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: gaseous NH₃, p-toluenesulfonic acid / toluene / Heating

2: ethanol / Heating

With ammonia; toluene-4-sulfonic acid; In ethanol; toluene;

Reference yield:

: 99-61-6
3-nitro-benzaldehyde

: 77888-06-3
methyl neopentyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: gaseous HCl / toluene / 40 h / Ambient temperature

2: ethanol / Heating

With hydrogenchloride; In ethanol; toluene;