Isopropyl 2-methoxyethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate

Basic Information

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CAS Number

66085-59-4

Molecular Formula

C21H26N2O7

Molecular Weight

418.4 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

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

124.0 to 128.0 deg-C

Boiling Point

526.3°C at 760 mmHg

Density

1.3268 (rough estimate)

Flash Point

277.3±30.1 °C

Solubility

methanol: 62.5 mg/mL

Refractive Index

1.6500 (estimate)

SMILES

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CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCOC

InChI

InChI=1S/C21H26N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12,19,22H,9-10H2,1-5H3

InChIKey

UIAGMCDKSXEBJQ-UHFFFAOYSA-N

LogP

2.7

Complexity

736

Safety Information

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GHS Hazard Pictograms

H373

Hazard Statement

H373 Causes damage to organs through prolonged or repeated exposure
Specific target organ toxicity, repeated exposure

Hazard Class

Class 6.1 Class 6.1

Toxicity

LD50 in mice, rats (mg/kg): 3562, 6599 orally; 33, 16 i.v. (Schlüter)

Synonyms & References

English

Nimodipine ap
Nimodipinum
D00438
AB00053314_05
NIMODIPINE [USP-RS]
Bio1_001096
Isopropyl 2-methoxyethyl 1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)-3,5-pyridinedicarboxylate
NCGC00015714-06
BSPBio_000796
HMS1570H18
DB00393
3-Isopropyl 5-(2-methoxyethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate #
NCGC00015714-07
CHEMBL3197349
Nimodipinum (INN-Latin)
BAY e 9736
NIMODIPINE [USAN]
DTXSID5023370
NCGC00015714-13
NIMODIPINE [EP MONOGRAPH]
1-methylethyl 2-(methyloxy)ethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
AC-8484
NCGC00015714-11
BRD-A58048407-001-06-3
Opera_ID_14
SBI-0050866.P003
CAS-66085-59-4
Nimodipime,(S)
NCGC00015714-09
HY-B0265
1,4-dihydropyridine-3,5-dicarboxylate

MDL Number

MFCD00153848

Customs Code

2933990090

FAQ

What is Isopropyl 2-methoxyethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate (CAS: 66085-59-4)?

Isopropyl 2-methoxyethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate (CAS: 66085-59-4) is a synthetic organic compound with a complex structure containing a pyridine ring and ester groups. It is a white crystalline solid with moderate solubility in organic solvents. This compound is known for its stability under normal conditions and is commonly used as an intermediate in chemical synthesis.

What are the main uses of Isopropyl 2-methoxyethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate (CAS: 66085-59-4)?

This compound is primarily used in pharmaceutical research as a building block for the synthesis of various drugs. It also finds applications in the chemical industry for the production of specialty chemicals and in research for developing new materials and compounds. Its utility stems from its functional groups that can be modified for diverse chemical applications.

Is Isopropyl 2-methoxyethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate (CAS: 66085-59-4) safe?

Isopropyl 2-methoxyethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate (CAS: 66085-59-4) is generally considered safe when handled properly. However, it should be treated with care as it may cause irritation to the skin and eyes. Protective equipment such as gloves and goggles is recommended. It is important to follow standard safety protocols and storage guidelines to ensure safe handling.

How should Isopropyl 2-methoxyethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate (CAS: 66085-59-4) be stored?

Isopropyl 2-methoxyethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate (CAS: 66085-59-4) should be stored in a cool, dry, and well-ventilated area away from direct sunlight. It is best kept in a sealed, airtight container to prevent moisture ingress. Storage conditions should maintain a temperature below 25°C and humidity levels below 60% to ensure stability and prolong shelf life.