3-Pyridinecarboxylic acid,5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphorinan-2-yl)-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-[phenyl(phenylmethyl)amino]ethyl ester | CAS No. 111011-63-3

3-Pyridinecarboxylic acid,5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphorinan-2-yl)-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-[phenyl(phenylmethyl)amino]ethyl ester

Basic Information

CAS Number

111011-63-3

Molecular Formula

C34H38N3O7P

Molecular Weight

631.7 g/mol

AD

Basic Physical Properties

Melting Point

169-170 ºC

Boiling Point

746.9°Cat760mmHg

Flash Point

405.5°C

Solubility

Insuluble (6.9E-4 g/L) (25 ºC),

CC1=C(C(C(=C(N1)C)P2(=O)OCC(CO2)(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCN(CC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C34H38N3O7P/c1-24-30(33(38)42-19-18-36(28-15-9-6-10-16-28)21-26-12-7-5-8-13-26)31(27-14-11-17-29(20-27)37(39)40)32(25(2)35-24)45(41)43-22-34(3,4)23-44-45/h5-17,20,31,35H,18-19,21-23H2,1-4H3

InChIKey

NSVFSAJIGAJDMR-UHFFFAOYSA-N

LogP

8.15520

Complexity

1170

Synonyms & References

English

  • NCGC00182046-01
  • 2-(N-BENZYLANILINO)ETHYL (+/-)-1,4-DIHYDRO-2,6-DIMETHYL-4-(M-NITROPHENYL)-5-PHOSPHONONICOTINATE, CYCLIC 2,2-DIMETHYLTRIMETHYLENE ESTER
  • CHEBI:146221
  • CS-3623
  • DTXSID9043988
  • DTXCID7023988
  • DB09235
  • CHEMBL2074922
  • EX-A3998
  • 2-[benzyl(phenyl)amino]ethyl 5-(5,5-dimethyl-2-oxo-1,3,2
  • 40ZTP2T37Q
  • GTPL12565
  • Q5347555
  • 2-(N-Benzylanilino)ethyl (- )-1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)-5-phosphononicotinate, cyclic 2,2-dimethyltrimethylene ester.
  • 2-[benzyl(phenyl)amino]ethyl-5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
  • E?-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
  • 111011-63-3
  • HMS3886A09
  • CCG-270291
  • D07886
  • 2-[benzyl(phenyl)amino]ethyl 5-(5,5-dimethyl-2-oxo-1,3,2lambda(5)-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
  • 2-(N-benzylanilino)ethyl 5-(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
  • NZ-105 (efonidipine HCl)
  • 2-(N-Benzylanilino)ethyl (+-)-1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)-5-phosphononicotinate, cyclic 2,2-dimethyltrimethylene ester
  • EFONIDIPINE [WHO-DD]
  • 3-PYRIDINECARBOXYLIC ACID, 5-(5,5-DIMETHYL-2-OXIDO-1,3,2-DIOXAPHOSPHORINAN-2-YL)-1,4-DIHYDRO-2,6-DIMETHYL-4-(3-NITROPHENYL)-, 2-(PHENYL(PHENYLMETHYL)AMINO)ETHYL ESTER
  • ( inverted exclamation markA)-Efonidipine
  • Tox21_113418
  • 2-(Benzyl(phenyl)amino)ethyl 5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
  • s4977
  • NZ-105

MDL Number

MFCD00865899

FAQ

What is 3-Pyridinecarboxylic acid,5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphorinan-2-yl)-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-[phenyl(phenylmethyl)amino]ethyl ester (CAS: 111011-63-3)?

3-Pyridinecarboxylic acid,5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphorinan-2-yl)-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-[phenyl(phenylmethyl)amino]ethyl ester (CAS: 111011-63-3) is a complex organic compound. It is a heterocyclic compound consisting of pyridine, oxadiazole, and an aminoethyl ester. It has a molecular weight of approximately 635. It is used in various applications, including pharmaceuticals and chemical research.

What are the main uses of 3-Pyridinecarboxylic acid,5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphorinan-2-yl)-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-[phenyl(phenylmethyl)amino]ethyl ester (CAS: 111011-63-3)?

This compound is primarily used in pharmaceutical research for synthesizing new drug candidates. It also has potential applications in the development of organic electronic materials and as a precursor in chemical synthesis.

Is 3-Pyridinecarboxylic acid,5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphorinan-2-yl)-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-[phenyl(phenylmethyl)amino]ethyl ester (CAS: 111011-63-3) safe?

The compound is safe when handled with appropriate precautions. It should be stored in a dry, well-ventilated area away from direct sunlight. Protective gloves and goggles should be worn during handling. In case of skin contact, wash with soap and water. Seek medical advice if irritation persists.

How should 3-Pyridinecarboxylic acid,5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphorinan-2-yl)-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-[phenyl(phenylmethyl)amino]ethyl ester (CAS: 111011-63-3) be stored?

This compound should be stored in a cool, dry place away from direct sunlight and heat sources. Keep the container tightly sealed to prevent moisture and contamination. Store in a well-ventilated area. Use compatible containers to prevent chemical reactions and degradation.

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