Diethyl 2,6-dimethyl-4-(2-{(1E)-3-[(2-methyl-2-propanyl)oxy]-3-oxo-1-propen-1-yl}phenyl)-1,4-dihydro-3,5-pyridinedicarboxylate

Basic Information

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CAS Number

103890-78-4

Molecular Formula

C26H33NO6

Molecular Weight

455.55 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

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

177.0 to 181.0 deg-C

Boiling Point

558.4°C at 760 mmHg

Density

1.127

Flash Point

291.5 °C

Solubility

DMSO: soluble20mg/mL, clear

Refractive Index

1.54

SMILES

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CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2C=CC(=O)OC(C)(C)C)C(=O)OCC)C)C

InChI

InChI=1S/C26H33NO6/c1-8-31-24(29)21-16(3)27-17(4)22(25(30)32-9-2)23(21)19-13-11-10-12-18(19)14-15-20(28)33-26(5,6)7/h10-15,23,27H,8-9H2,1-7H3/b15-14+

InChIKey

GKQPCPXONLDCMU-CCEZHUSRSA-N

LogP

4.402500000000004

Topological Polar Surface Area

90.92999999999999 Å²

Hydrogen Bond Donor/Acceptor

1 / 7

Complexity

805

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Sensitiveness

thermally sensitive

Synonyms & References

English

AB00698350-05
GR43659X
DB09236
SCHEMBL13287288
diethyl 2,6-dimethyl-4-[2-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
Viapres
EN300-22411579
L0276
CPD000466342
GR 43659X
SCHEMBL49278
GR 43659 X
BRD-K05851096-001-01-9
Tox21_112174_1
3,5-Pyridinedicarboxylic acid, 4-(2-(3-(1,1-dimethylethoxy)-3-oxo-1-propenyl)phenyl)-1,4-dihydro-2,6-dimethyl-, diethyl ester, (E)-
SR-05000001445
Lacidipino [Spanish]
AB01275445_02
LACIDIPINE [MART.]
Lacipil
SCHEMBL49277
AC-33195
LACIDIPINE [MI]
CHEBI:135737
Lacidipine
Lacidipine (USAN/INN)
NC00403
Lacipil, Motens, Lacidipine
PD002941
AC-11008
A800840

MDL Number

MFCD00865936

Customs Code

2933399090

FAQ

What is Diethyl 2,6-dimethyl-4-(2-{(1E)-3-[(2-methyl-2-propanyl)oxy]-3-oxo-1-propen-1-yl}phenyl)-1,4-dihydro-3,5-pyridinedicarboxylate (CAS: 103890-78-4)?

Diethyl 2,6-dimethyl-4-(2-{(1E)-3-[(2-methyl-2-propanyl)oxy]-3-oxo-1-propen-1-yl}phenyl)-1,4-dihydro-3,5-pyridinedicarboxylate is a chemical compound with the CAS number 103890-78-4. It belongs to the class of pyridinedicarboxylates and is characterized by its complex structure, which includes a pyridine ring, ester groups, and multiple alkyl substituents. This compound is known for its stability and solubility in organic solvents, making it suitable for various chemical applications.

What are the main uses of Diethyl 2,6-dimethyl-4-(2-{(1E)-3-[(2-methyl-2-propanyl)oxy]-3-oxo-1-propen-1-yl}phenyl)-1,4-dihydro-3,5-pyridinedicarboxylate (CAS: 103890-78-4)?

This compound is primarily used in pharmaceutical research as a key intermediate in the synthesis of certain drug molecules. It also finds applications in organic chemistry for the development of new materials and as a building block in complex chemical reactions. Its unique structure makes it valuable in the design of bioactive compounds and specialized chemical products.

Is Diethyl 2,6-dimethyl-4-(2-{(1E)-3-[(2-methyl-2-propanyl)oxy]-3-oxo-1-propen-1-yl}phenyl)-1,4-dihydro-3,5-pyridinedicarboxylate (CAS: 103890-78-4) safe?

The safety of this compound depends on its handling and application. While it is generally considered stable under normal conditions, it should be handled with care in laboratory settings. Protective measures such as gloves, goggles, and proper ventilation are recommended. It is important to follow safety guidelines and regulations to ensure safe use in both industrial and research contexts.

How should Diethyl 2,6-dimethyl-4-(2-{(1E)-3-[(2-methyl-2-propanyl)oxy]-3-oxo-1-propen-1-yl}phenyl)-1,4-dihydro-3,5-pyridinedicarboxylate (CAS: 103890-78-4) be stored?

This compound should be stored in a cool, dry, and well-ventilated area, away from direct light. It is recommended to keep it in a sealed container made of glass or high-density polyethylene to prevent moisture absorption. Storage conditions should maintain a temperature below 25°C and avoid exposure to humidity or light to ensure its stability and prolong shelf life.