Ethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate

Basic Information

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CAS Number

39562-70-4

Molecular Formula

C18H20N2O6

Molecular Weight

360.4 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Yellow powder

Melting Point

158°C

Boiling Point

464.8℃/760mmHg

Water Solubility

Soluble in DMSO (17.5 mg/ml), methanol (15 mg/ml), ethyl acetate, and ethanol (25 mM). Insoluble in water.

Flash Point

249.5±28.7 °C

Solubility

methanol: 15 mg/mL

Refractive Index

1.5700 (estimate)

SMILES

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CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C)C

InChI

InChI=1S/C18H20N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9,16,19H,5H2,1-4H3

InChIKey

PVHUJELLJLJGLN-UHFFFAOYSA-N

LogP

2.4

Complexity

661

Safety Information

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GHS Hazard Pictograms

H312

H332

Hazard Statement

H312 Harmful in contact with skin
Acute toxicity, dermal

H332 Harmful if inhaled
Acute toxicity, inhalation

Toxicity

LD50 in mice, rats (mg/kg): 39, 12.6 i.v.; 2540, >10000 orally (Hoffmann)

Synonyms & References

English

MFCD00082255
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, ethyl methyl ester, (+/-)-
NCGC00015713-06
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, ethyl methyl ester, (+-)-
UNII-9B627AW319
KBio2_005255
BRD-6392
NCGC00261566-01
MLS001148149
CAS-39562-70-4
NITRENDIPINE [INN]
DTXCID203373
IDI1_033869
Oprea1_703261
Tox21_500881
NCGC00015713-13
Opera_ID_928
BSPBio_002575
3-ethyl 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
HMS2051B04
LP00881
Bay-e-5009
(+/-)-ETHYL METHYL 1,4-DIHYDRO-2,6-DIMETHYL-4-(M-NITROPHENYL)-3,5-PYRIDINEDICARBOXYLATE
Spectrum_001901
9B627AW319
Tox21_110201
NITRENDIPINE [MI]
39562-70-4
KBio3_000237
HMS3411I14
PD033036

MDL Number

MFCD00082255

Customs Code

2933399090

FAQ

What is Ethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate (CAS: 39562-70-4)?

Ethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate (CAS: 39562-70-4) is an organic compound characterized by its pyridine dicarboxylate structure. It is a white solid with moderate solubility in organic solvents and is commonly used in chemical synthesis. Its molecular formula is C17H20N2O6, and it exhibits functional group reactivity typical of esters and pyridine derivatives.

What are the main uses of Ethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate (CAS: 39562-70-4)?

This compound is primarily used in pharmaceutical research as a building block for drug development. It also finds applications in organic synthesis for creating complex molecules. Additionally, it may be used in industrial chemical processes and as a research reagent in laboratories for various chemical reactions and studies.

Is Ethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate (CAS: 39562-70-4) safe?

Ethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate (CAS: 39562-70-4) is generally considered safe when handled properly. However, it should be treated with care as it may cause skin or eye irritation. Protective gloves, goggles, and a well-ventilated workspace are recommended. Always follow established safety protocols and regulations for chemical handling.

How should Ethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate (CAS: 39562-70-4) be stored?

Ethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate (CAS: 39562-70-4) should be stored in a cool, dry, and dark place to maintain its stability. It is best kept in a sealed container, away from moisture and incompatible substances. Storage at temperatures below 25°C and in a controlled humidity environment is recommended to prevent degradation.