Lot numbers can be found on the outside label of a product:
Methyl 4-((diethoxyphosphoryl)methyl)benzoate
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CAS No. 14295-52-4
- Cat. No. CS-0128145
- Purity≥98%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 14295-52-4
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General Information
- CAS No. 14295-52-4
- Cat. No. CS-0128145
- Purity ≥98%
- MDL No. None
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₃H₁₉O₅P
- Molecular Weight 286.26
- Synonym(s) Methyl 4-(diethoxyphosphorylmethyl)benzoate
- SMILES O=C(C1=CC=C(C=C1)CP(OCC)(OCC)=O)OC
Description
Methyl 4-((diethoxyphosphoryl)methyl)benzoate features a para-substituted benzylphosphonate scaffold with enhanced solubility in organic media. The diethoxyphosphoryl group enables efficient coupling reactions under mild conditions, while the ester functionality supports downstream derivatization. This bench-stable reagent integrates readily into synthetic sequences requiring phosphorus-containing aromatic linkages.
Application
Methyl 4-((diethoxyphosphoryl)methyl)benzoate serves as a versatile synthon in organic synthesis, enabling the introduction of phosphonate functionality adjacent to an aromatic ring. The diethoxyphosphoryl group facilitates Stobbe condensations and acts as a precursor for phosphonate-containing heterocycles. Its bench-stable nature and compatibility with standard functional group manipulations make it a practical choice for constructing complex scaffolds in medicinal chemistry and materials science workflows.
Synthesis
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Route1
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2417-72-3 -
122-52-1 - ~97%
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In-stock
14295-52-4
References
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UNIVERSITY OF STRATHCLYDE Patent: WO2008/38018 A1, 2008 ; Location in patent: Page/Page column 48 ;
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Route2
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2417-72-3
- ~83%
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In-stock
14295-52-4
References
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Eisai Co., Ltd. Patent: US4788330 A1, 1988 ;
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Route3
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In-stock
78-40-0 -
2417-72-3
- ~96%
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In-stock
14295-52-4
References
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UNIVERSITY OF PENNSYLVANIA Patent: WO2005/48944 A2, 2005 ; Location in patent: Page/Page column 32 ;
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H302-H315-H319-H335
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Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 61.83
- LogP 3.2393
- H_Acceptors 5
- H_Donors 0
- Rotatable_Bonds 7
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Key Words
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