Lot numbers can be found on the outside label of a product:
Dimethyl (2-oxo-4-phenylbutyl)phosphonate
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CAS No. 41162-19-0
- Cat. No. CS-0150155
- Purity≥97%
- MDL No.MFCD02093040
*For research and further manufacturing use only, not for direct human use.
Structure of 41162-19-0
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General Information
- CAS No. 41162-19-0
- Cat. No. CS-0150155
- Purity ≥97%
- MDL No. MFCD02093040
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₂H₁₇O₄P
- Molecular Weight 256.23
- Synonym(s) Dimethyl-(2-oxo-4-phenylbutyl)phosphonate
- SMILES COP(=O)(CC(=O)CCC1=CC=CC=C1)OC
Description
Dimethyl (2-oxo-4-phenylbutyl)phosphonate features a β-keto phosphonate moiety flanked by a phenyl-substituted alkyl chain, enabling direct C–C bond formation via Horner-Wadsworth-Emmons reactions. This bench-stable reagent delivers high stereoselectivity in olefination processes and integrates readily into complex molecular architectures under mild conditions.
Application
Dimethyl (2-oxo-4-phenylbutyl)phosphonate serves as a versatile synthon in C–C bond formation, enabling efficient access to β-keto phosphonate derivatives via aldol-type reactions. Its α,β-unsaturated carbonyl motif facilitates conjugate addition and Michael-type processes, while the phosphonate group supports Stobbe condensations and Horner–Wadsworth–Emmons olefination. The molecule exhibits good bench stability and tolerates common functional groups, making it a practical building block for complex heterocyclic and pharmaceutical intermediates.
Synthesis
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Route1
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In-stock
103-25-3 -
756-79-6 - ~95%
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In-stock
41162-19-0
References
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Kirsch, Stefan F.; Klahn, Philipp; Menz, Helge Synthesis, 2011 , # 22 art. no. T78511SS, p. 3592 - 3603
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Route2
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In-stock
2021-28-5 -
756-79-6
- ~%
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In-stock
41162-19-0
References
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May and Baker Limited Patent: US4088695 A1, 1978 ;
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Route3
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In-stock
140-10-3 - ~%
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In-stock
41162-19-0
References
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DeLong, Mitchell A.; Amburgey, Jack; Taylor, Cynthia; Wos, John A.; Soper, David L.; Wang, Yili; Hicks, Renee Bioorganic and Medicinal Chemistry Letters, 2000 , vol. 10, # 14 p. 1519 - 1522
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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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 52.6
- LogP 2.6742
- H_Acceptors 4
- H_Donors 0
- Rotatable_Bonds 7
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Key Words
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