Dipropan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Base Information Edit

Chemical Name:Dipropan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CAS No.:21881-78-7
Molecular Formula:C21H26N2O6
Molecular Weight:402.447
Hs Code.:
DSSTox Substance ID:DTXSID501121456
Nikkaji Number:J1.989.054F
ChEMBL ID:CHEMBL1095860
Mol file:21881-78-7.mol

Synonyms:21881-78-7;Dipropan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic acid bis(1-methylethyl) ester;CHEMBL1095860;SCHEMBL11011759;UPOXKUKUWZYRQV-UHFFFAOYSA-N;DTXSID501121456;STK827711;AKOS005177548;EN300-18508237;Z1213728973;1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic acid diisopropyl ester;3,5-bis(propan-2-yl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;diisopropyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate;1,4-dihydro-2,6-dimethyl-4-(3-nitro-phenyl)-3,5-pyridinedicarboxylic acid diisopropyl ester;3,5-Bis(1-methylethyl) 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate

Suppliers and Price of Dipropan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Supply Marketing:Edit

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
3-Des(2-methoxyethyl)3-(1-Methylethyl)EsterNimodipine
1g
$ 1455.00

Biosynth Carbosynth
(RS)-Di-isopropyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate
2 g
$ 500.00

Biosynth Carbosynth
(RS)-Di-isopropyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate
1 g
$ 280.00

Biosynth Carbosynth
(RS)-Di-isopropyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate
500 mg
$ 150.00

Biosynth Carbosynth
(RS)-Di-isopropyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate
250 mg
$ 100.00

Biosynth Carbosynth
(RS)-Di-isopropyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate
100 mg
$ 60.00

Total 7 raw suppliers

Chemical Property of Dipropan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Edit

Chemical Property:

Melting Point:123-125℃ (ethanol )
Boiling Point:512.1±50.0 °C(Predicted)
PKA:2.94±0.70(Predicted)
PSA：110.45000
Density:1.186±0.06 g/cm3(Predicted)
LogP:4.58480
Storage Temp.:Hygroscopic, -20°C Freezer, Under inert atmosphere
Solubility.:Chloroform (Slightly), Methanol (Slightly)
XLogP3:4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:402.17908655
Heavy Atom Count:29
Complexity:688

Purity/Quality:

99.90% ^*data from raw suppliers

3-Des(2-methoxyethyl)3-(1-Methylethyl)EsterNimodipine ^*data from reagent 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)OC(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC(C)C
Uses 3-Des(2-methoxyethyl) 3-(1-Methylethyl) Ester Nimodipine (Nimodipine EP Impurity B) can be used in synthetic preparation of dihydropyridinedicarboxylic acid esters by methylimidazolium trifluoroacetate-catalyzed Hantzsch cyclocondensation reaction of oxo-carboxylic acid esters with aldehydes and ammonium acetate. It can also be used as an analyte for analytical study in developing and optimizing a validated isocratic reversed-phase high-performance liquid chromatograhy separation of nimodipine and impurities in tablets using experimental. design methodology. It is an impurity of the drug Nimodipine (N478200).

Technology Process of Dipropan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

There total 8 articles about Dipropan-2-yl 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: 85.0%

: 542-08-5
isopropyl acetoacetate

: 99-61-6
3-nitro-benzaldehyde

: 21881-78-7
3,5-diisopropyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate

Guidance literature:: With 1-methylimidazolium trifluoroacetate; ammonium acetate; In ethanol; for 0.0666667h; Microwave irradiation;
DOI:10.1007/s12039-012-0306-5