CAS No.33512-26-4,DIETHYL (PHTHALIMIDOMETHYL)PHOSPHONATE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	33512-26-4
Name:	DIETHYL (PHTHALIMIDOMETHYL)PHOSPHONATE
Article Data:	20

Formula:	C₁₃H₁₆NO₅P
Molecular Weight:	297.247
Synonyms:	Phosphonicacid, (phthalimidomethyl)-, diethyl ester (8CI);
Density:	1.312 g/cm³
Melting Point:	60-64 °C(lit.)
Boiling Point:	423.3 °C at 760 mmHg
Flash Point:	209.8 °C
Appearance:	white to off-white crystalline powder
Hazard Symbols:	T
Risk Codes:	25
Safety:	45-24/25
PSA:	82.72000
LogP:	2.44410

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Specification

The Diethyl (phthalimidomethyl)phosphonate, also known as Phosphonic acid, P-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]-, diethyl ester, is an organic compound with the formula C₁₃H₁₆NO₅P. It belongs to the product categories of Horner-Emmons Reaction; N-Substituted Maleimides, Succinimides & Phthalimides; N-Substituted Phthalimides; Synthetic Organic Chemistry; Wittig & Horner-Emmons Reaction; C-C Bond Formation; Horner-Wadsworth-Emmons Reagents; Olefination. With the CAS registry number 33512-26-4, its IUPAC name is 2-(diethoxyphosphorylmethyl)isoindole-1,3-dione. The product should be sealed and stored in cool, dry and well-ventilated place. What's more, this chemical is white to off-white crystalline powder.

Physical properties of Diethyl (phthalimidomethyl)phosphonate: (1)ACD/LogP: 1.77; (2)#H bond acceptors: 6; (3)#Freely Rotating Bonds: 6; (4)Index of Refraction: 1.541; (5)Molar Refractivity: 71.23 cm³; (6)Molar Volume: 226.5 cm³; (7)Surface Tension: 49.6 dyne/cm; (8)Density: 1.312 g/cm³; (9)Flash Point: 209.8 °C; (10)Enthalpy of Vaporization: 67.76 kJ/mol; (11)Boiling Point: 423.3 °C at 760 mmHg; (12)Vapour Pressure: 2.26E-07 mmHg at 25°C.

Preparation: this chemical can be prepared by hydroxymethyl-phosphonic acid diethyl ester and phthalimide. This reaction will need reagents triphenylphosphine, diethyl diazenedicarboxylate and solvent tetrahydrofuran. The reaction time is 2 days with ambient temperature. The yield is about 62%.

Diethyl (phthalimidomethyl)phosphonate can be prepared by hydroxymethyl-phosphonic acid diethyl ester and phthalimide

Uses of Diethyl (phthalimidomethyl)phosphonate: it can be used to produce N-phosphonomethyl-phthalimide. This reaction will need reagent trimethylsilyl iodide and solvent CH₂Cl₂. The yield is about 40%.

Diethyl (phthalimidomethyl)phosphonate can be used to produce N-phosphonomethyl-phthalimide

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOP(=O)(CN1C(=O)C2=CC=CC=C2C1=O)OCC
(2)InChI: InChI=1S/C13H16NO5P/c1-3-18-20(17,(3)19-4-2)9-14-12(15)10-7-5-6-8-11(10)13(14)16/h5-8H,3-4,9H2,1-2H3
(3)InChIKey: IUZMHUAHKBHJFY-UHFFFAOYSA-N