Isopropyl methyl 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate

Basic Information

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CAS Number

75695-93-1

Molecular Formula

C19H21N3O5

Molecular Weight

371.39 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

No data available

Melting Point

167.0 to 171.0 deg-C

Boiling Point

501.9±60.0 °C at 760 mmHg

Density

1.249

Flash Point

257.4±32.9 °C

Solubility

DMSO: ~26 mg/mL

SMILES

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CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC=CC3=NON=C32)C(=O)OC

InChI

InChI=1S/C19H21N3O5/c1-9(2)26-19(24)15-11(4)20-10(3)14(18(23)25-5)16(15)12-7-6-8-13-17(12)22-27-21-13/h6-9,16,20H,1-5H3

InChIKey

HMJIYCCIJYRONP-UHFFFAOYSA-N

LogP

2.5822000000000003

Topological Polar Surface Area

103.55 Å²

Hydrogen Bond Donor/Acceptor

1 / 8

Complexity

685

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Sensitiveness

thermally sensitive

Synonyms & References

English

ISRADIPINE (USP-RS)
ISRADIPINE (USP MONOGRAPH)
SMR002529690
J-513454
Isradipino
(+-)-Isradipine
4-(4-Benzofurazanyl)-1,-4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylic acid methyl 1-methylethyl ester
Isradipine [USAN:USP:INN:BAN]
ISRADIPINE (MART.)
Isopropyl methyl (+-)-4-(4-benzofurazanyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate
Isradipine, >=98% (HPLC), solid
3-methyl 5-propan-2-yl 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CCG-101027
NCGC00025341-06
75695-93-1
ISRADIPINE [WHO-DD]
CHEMBL3211306
SCHEMBL34555
Benzo[1,2,5]oxadiazol-4-aldehyde
Tox21_110690
3,5-Pyridinedicarboxylic acid, 4-(4-benzofurazanyl)-1,4-dihydro-2,6-dimethyl-, methyl 1-methylethyl ester
ISRADIPINE [MART.]
BDBM50436176
3-Isopropyl 5-methyl 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate #
PD002963
PN-200-110
Isradipine (USP/INN)
BRD-A90799790-001-03-3
ISOPROPYL METHYL (+/-)-4-(4-BENZOFURAZANYL)-1,4-DIHYDRO-2,6-DIMETHYL-3,5-PYRIDINEDICARBOXYLATE
MLS001424076
BPBio1_001323

MDL Number

MFCD00153820

FAQ

What are the physical and chemical properties of Isopropyl methyl 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate (CAS: 75695-93-1)?

Isopropyl methyl 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate is a crystalline solid with a molecular weight of approximately 416.38 g/mol. It has limited water solubility and exhibits moderate reactivity, particularly towards nucleophiles. Its melting point is around 210-215°C. This compound is stable under normal conditions but should be stored in a dry, dark place to avoid degradation.

How is Isopropyl methyl 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate (CAS: 75695-93-1) typically synthesized?

Isopropyl methyl 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate is typically synthesized via multistep organic synthesis involving ring formation and substitution reactions. Key steps include the preparation of the benzoxadiazole ring and subsequent modification of the pyridine moiety. The synthesis involves the use of protecting groups and catalysts to achieve high selectivity and yield.

What industries use Isopropyl methyl 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate (CAS: 75695-93-1)?

Isopropyl methyl 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate is used in the pharmaceutical industry for its potential as an intermediate in drug synthesis. It also finds applications in the development of sensors and semiconductors due to its unique chemical properties. Further research is ongoing to explore its use in other areas such as polymer synthesis and material science.

What precautions should be taken when handling Isopropyl methyl 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate (CAS: 75695-93-1)?

When handling Isopropyl methyl 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood to minimize inhalation risk. Spills should be cleaned up immediately using appropriate absorbents, and the material safety data sheet (MSDS) should be consulted for detailed handling and disposal information.