2-Butenoic acid, 4-(diethoxyphosphinyl)-, ethyl ester


Chemical Name: 2-Butenoic acid, 4-(diethoxyphosphinyl)-, ethyl ester
CAS Number: 10236-14-3
Product Number: AG00079D(AGN-PC-0JNYZ8)
Synonyms:
MDL No:
Molecular Formula: C10H19O5P
Molecular Weight: 250.2286

Identification/Properties


Properties
BP:
135 °C0.4 mm Hg(lit.)
Storage:
2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.455(lit.)
Computed Properties
Molecular Weight:
250.231g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
9
Exact Mass:
250.097g/mol
Monoisotopic Mass:
250.097g/mol
Topological Polar Surface Area:
61.8A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
264
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



Ethyl 4-(diethoxyphosphoryl)but-2-enoate is a versatile compound commonly used in chemical synthesis for its unique properties and reactivity. In organic chemistry, this compound serves as a valuable building block for the synthesis of various phosphorus-containing compounds due to the presence of a reactive phosphorus ester group.One key application of Ethyl 4-(diethoxyphosphoryl)but-2-enoate is its use in the synthesis of organophosphorus compounds, which are important in pharmaceuticals, agrochemicals, and materials science. By utilizing this compound as a starting material, chemists can introduce phosphorus functionalities into molecules, enhancing their biological activity or altering their chemical properties.Furthermore, Ethyl 4-(diethoxyphosphoryl)but-2-enoate can participate in various reactions such as nucleophilic substitution, Michael addition, and cycloaddition reactions, allowing for the preparation of structurally diverse and complex molecules. Its versatile nature and reactivity make it a valuable tool in the toolkit of synthetic chemists seeking to access novel phosphorus-containing compounds for a wide range of applications.