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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-dihydro-3-pyridinecarboxylate hydrochloride (1:1) | CAS No. 111011-53-1

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-dihydro-3-pyridinecarboxylate hydrochloride (1:1)

Basic Information

Chemical_Structure_Of
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CAS Number

111011-53-1

Molecular Formula

C34H39ClN3O7P

Molecular Weight

668.1 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
Agricultural Chemicals Pesticides Insecticides
Agricultural Chemicals Pesticides Herbicides
Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

169-170ºC

Boiling Point

746.9 °C at 760 mmHg

Flash Point

405.5 °C

SMILES

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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.Cl

InChI

InChI=1S/C34H38N3O7P.ClH/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;1H

InChIKey

OXVTXPCIJDYQIS-UHFFFAOYSA-N

LogP

8.95720

Complexity

1170

Safety Information

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Toxicity

LD50 in mice (mg/kg): >600 orally (Seto)

Synonyms & References

English

  • 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, monohydrochloride
  • BCP16454
  • 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;hydrochloride
  • 111011-53-1
  • 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 hydrochloride
  • NZ 105
  • EFONIDIPINE HYDROCHLORIDE [WHO-DD]
  • DTXSID20911942
  • UNII-3BR983K69O
  • EFONIDIPINE HYDROCHLORIDE [MART.]
  • J-002504
  • NZ-105 hydrochloride
  • 3-Pyridinecarboxylic acid, 5-(5,5-dimethyl-1,3,2-dioxaphosphorinan-2-yl)-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-(phenyl(phenylmethyl)amino)ethyl ester, P-oxide, monohydrochloride
  • 2-(N-BENZYLANILINO)ETHYL (+/-)-1,4-DIHYDRO-2,6-DIMETHYL-4-(M-NITROPHENYL)-5-PHOSPHONONICOTINATE, CYCLIC 2,2-DIMETHYLTRIMETHYLENE ESTER, HYDROCHLORIDE
  • Efonidipine (hydrochloride)
  • 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, HYDROCHLORIDE (1:1)
  • HY-12502B
  • efonidipine hydrochloride
  • NZ-105
  • 3BR983K69O
  • CS-3624
  • Efonidipine hydrochloride [JAN]
  • AC-36442
  • CCRIS 4065
  • Q27257012
  • 2-(Benzyl(phenyl)amino)ethyl5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylatehydrochloride
  • 2-(N-benzylanilino)ethyl 5-(5,5-dimethyl-2-oxo-1,3,2$l^{5-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate;hydrochloride
  • AKOS025294085
  • A921491
  • 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--hydrogen chloride (1/1)
  • SCHEMBL332377

MDL Number

MFCD01749486

FAQ

What are the physical and chemical properties of 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-dihydro-3-pyridinecarboxylate hydrochloride (CAS: 111011-53-1)?
The compound is a crystalline solid with a molecular weight of approximately 659.4 g/mol. It has a low solubility in water but is soluble in organic solvents like ethanol and acetone. Chemically, it is stable under neutral conditions but can hydrolyze in acidic environments. It exhibits reactivity towards nucleophiles and can undergo substitution reactions.

How is 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-dihydro-3-pyridinecarboxylate hydrochloride (CAS: 111011-53-1) typically synthesized?
The compound is synthesized via the condensation of an amine with a dioxaphospholane under mild conditions. Commonly, this involves the use of a Lewis acid catalyst and a catalytic amount of a base. The reaction typically yields a high purity product with excellent selectivity and good yield.

What industries use 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-dihydro-3-pyridinecarboxylate hydrochloride (CAS: 111011-53-1)?
This compound has applications in the pharmaceutical industry for its potential use as a drug intermediate. It can also be used in the sensor industry for its ability to detect specific chemical species. Additionally, it may have applications in the synthesis of certain polymers due to its functional groups.

What precautions should be taken when handling 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-dihydro-3-pyridinecarboxylate hydrochloride (CAS: 111011-53-1)?
When handling this compound, wear appropriate personal protective equipment (PPE) including gloves, lab coat, and safety goggles. Work in a well-ventilated area or fume hood to minimize exposure. Dispose of any waste according to local regulations and keep the compound away from heat sources and strong acids. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions.

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Supplier Information

Shanghai Hansi Chemical Co., Ltd.

CAS Number: 111011-53-1

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Shanghai Huicheng Biotechnology Co., Ltd.

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ShangHaiZhenZhun Biotechnology Co Ltd

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Shanghai Jieshukai Biotechnology Co., Ltd.

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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-dihydro-3-pyridinecarboxylate hydrochloride (1:1) — ShangHaiChuangSai Technology Co Ltd

ShangHaiChuangSai Technology Co Ltd

CAS Number: 111011-53-1

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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-dihydro-3-pyridinecarboxylate hydrochloride (1:1) — ShenZhenAiTaHuaXue Co Ltd

ShenZhenAiTaHuaXue Co Ltd

CAS Number: 111011-53-1

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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-dihydro-3-pyridinecarboxylate hydrochloride (1:1) — Shanghai Yuyeh Biotechnology Co., Ltd.

Shanghai Yuyeh Biotechnology Co., Ltd.

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Hubei Hanwei Chemical Co., Ltd.

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Jiangsu Liansheng Chemical Co., Ltd.

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ShangHaiMaiKeLinShengHuaKeJi Inc

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Shanghai Aladdin Bio-Technologies Co., Ltd.

CAS Number: 111011-53-1

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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-dihydro-3-pyridinecarboxylate hydrochloride (1:1) — Shanghai Jixiang Biotechnology Co., Ltd.

Shanghai Jixiang Biotechnology Co., Ltd.

CAS Number: 111011-53-1

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