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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: 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)
CAS Number

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Basic Information

Molecular Formula
C34H39ClN3O7P
Molecular Weight
668.1 g/mol

Physical Properties

Melting Point
169-170ºC
Boiling Point
746.9 °C at 760 mmHg
Flash Point
405.5 °C

Chemical Identifiers

SMILES
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
InChIKey
OXVTXPCIJDYQIS-UHFFFAOYSA-N

Database References

MDL Number
MFCD01749486

FAQ

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.
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.
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.
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.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

Contact Information

Contact Person

Wen Jun

Email

wen.jun@e-biochem.com

Mobile

18018625233

Address

No. 3408 Xiupu Road, Pudong New Area, Shanghai