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Methyl (2E)-3-phenyl-2-propen-1-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate | CAS No. 99522-79-9

Methyl (2E)-3-phenyl-2-propen-1-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate

Basic Information

Chemical_Structure_Of
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CAS Number

99522-79-9

Molecular Formula

C25H24N2O6

Molecular Weight

448.5 g/mol

AD

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

143.5-144.5 ºC (methanol )

Boiling Point

618.9°Cat760mmHg

Density

1.253±0.06 g/cm3 (20 ºC 760 Torr),

Flash Point

328.1°C

Solubility

Insuluble (2.5E-4 g/L) (25 ºC),

Refractive Index

1.606

SMILES

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CC1=C(C(C(=C(N1)C)C(=O)OCC=CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C25H24N2O6/c1-16-21(24(28)32-3)23(19-12-7-13-20(15-19)27(30)31)22(17(2)26-16)25(29)33-14-8-11-18-9-5-4-6-10-18/h4-13,15,23,26H,14H2,1-3H3/b11-8+

InChIKey

XTFPDGZNWTZCMF-DHZHZOJOSA-N

LogP

5.11120

Complexity

847

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

Synonyms & References

English

  • (E)-CINNAMYL METHYL (+/-)-1,4-DIHYDRO-2,6-DIMETHYL-4-(M-NITROPHENYL)-3,5-PYRIDINEDICARBOXYLATE
  • UNII-9DES9QVH58
  • AS-15993
  • 3-O-methyl 5-O-[(E)-3-phenylprop-2-enyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
  • SCHEMBL49274
  • 3,5-PYRIDINEDICARBOXYLIC ACID, 1,4-DIHYDRO-2,6-DIMETHYL-4-(3-NITROPHENYL)-, METHYL (2E)-3-PHENYL-2-PROPENYL ESTER
  • trans-Cinnamyl methyl 4-(3-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
  • NS00116373
  • Pranidipine
  • MLS006010122
  • Acalas
  • 99522-79-9
  • Pranidipine [INN]
  • OPC 13340
  • HY-19664
  • CS-0016176
  • 102106-08-1
  • Q7238365
  • AKOS040742443
  • FRC-8411
  • (Z)-3-Methyl 5-(3-phenylallyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
  • CCRIS 6666
  • Methyl cinnamyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate
  • DTXSID00875518
  • (E)-Cinnamyl methyl (+-)-1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)-3,5-pyridinedicarboxylate
  • SMR004701255
  • 9DES9QVH58
  • PRANIDIPINE [JAN]
  • AKOS025311508
  • 3-cinnamyl 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
  • 3,5-PYRIDINEDICARBOXYLIC ACID, 1,4-DIHYDRO-2,6-DIMETHYL-4-(3-NITROPHENYL)-, 3-METHYL 5-((2E)-3-PHENYL-2-PROPEN-1-YL) ESTER

MDL Number

MFCD00865896

FAQ

What are the physical and chemical properties of Methyl (2E)-3-phenyl-2-propen-1-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate (CAS: 99522-79-9)?
Methyl (2E)-3-phenyl-2-propen-1-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate (CAS: 99522-79-9) is a crystalline solid with a molecular weight of approximately 504.31 g/mol. It has a low solubility in water but is soluble in organic solvents like methanol and ethanol. Chemically, it exhibits moderate reactivity towards nucleophiles and can undergo substitution reactions. It is stable under normal conditions but should be stored in a dry and cool place away from direct sunlight.

How is Methyl (2E)-3-phenyl-2-propen-1-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate (CAS: 99522-79-9) typically synthesized?
Methyl (2E)-3-phenyl-2-propen-1-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate is typically synthesized via a multi-step process involving reactions such as nitration, esterification, and condensation. The synthesis involves the use of appropriate catalysts and solvents to achieve high yield and selectivity. The exact conditions and reagents can vary based on the desired purity and yield.

What industries use Methyl (2E)-3-phenyl-2-propen-1-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate (CAS: 99522-79-9)?
Methyl (2E)-3-phenyl-2-propen-1-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate (CAS: 99522-79-9) is used in the pharmaceutical industry for the development of certain drugs. It also finds applications in the polymer industry as a stabilizer and in the electronic industry as a functional material in sensors and semiconductors.

What precautions should be taken when handling Methyl (2E)-3-phenyl-2-propen-1-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate (CAS: 99522-79-9)?
When handling Methyl (2E)-3-phenyl-2-propen-1-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate (CAS: 99522-79-9), it is crucial to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be handled in a well-ventilated area or fume hood to prevent inhalation. Spills should be handled with caution using appropriate spill kits, and the Material Safety Data Sheet (MSDS) should be consulted for detailed safety information and emergency procedures.

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Supplier Information

Shanghai Yuansi Biotechnology Co., Ltd.

CAS Number: 99522-79-9

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Hangzhou Yaorieyicheng Biopharmaceutical Co., Ltd.

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Methyl (2E)-3-phenyl-2-propen-1-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate — Shanghai Jixiang Biotechnology Co., Ltd.

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Wuhan HuJiu Medicine Technology Co., Ltd.

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Methyl (2E)-3-phenyl-2-propen-1-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate — ShenZhenAiTaHuaXue Co Ltd

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Methyl (2E)-3-phenyl-2-propen-1-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate — Shanghai Yuyeh Biotechnology Co., Ltd.

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