| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
Dimethyl (2-oxoheptyl)phosphonate does not have a biological target; it is a chemical reagent used in organic synthesis. The phosphonate group serves as a key building block for introducing the oxoheptyl moiety into target molecules via the Horner-Wadsworth-Emmons (HWE) reaction. The compound itself is not intended to interact with biological receptors or enzymes.
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|---|---|
| ln Vitro |
In vitro activity is not measured for this compound as it is a synthetic intermediate rather than a pharmacologically active agent. Its utility is demonstrated through successful conversion to target molecules in organic synthesis. The compound's chemical reactivity and stability under various reaction conditions are characterized in vitro.
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| ln Vivo |
In vivo activity is not applicable to Dimethyl (2-oxoheptyl)phosphonate. The compound is a chemical reagent used in laboratory synthesis and is not administered in vivo for therapeutic purposes. Its biological activity, if any, would be derived from the downstream products synthesized from it.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays are not applicable to Dimethyl (2-oxoheptyl)phosphonate. Standard characterization includes NMR spectroscopy (¹H, ¹³C, ³¹P) to confirm structure, HPLC or GC to assess purity, and mass spectrometry for molecular weight confirmation. The compound is typically evaluated for its suitability in the Horner-Wadsworth-Emmons reaction.
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| Cell Assay |
In vitro cellular assays are not performed on this compound. It is used as a chemical reagent in organic synthesis rather than a biological test agent. Its primary evaluation involves chemical properties such as solubility in organic solvents and reactivity in coupling reactions.
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| Animal Protocol |
In vivo animal studies are not conducted on Dimethyl (2-oxoheptyl)phosphonate. The compound is a chemical reagent used in laboratory synthesis. Animal efficacy and toxicity studies are performed on the final pharmaceutical products derived from it.
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| ADME/Pharmacokinetics |
Pharmacokinetic studies are not performed on Dimethyl (2-oxoheptyl)phosphonate. The compound is a chemical reagent and not a drug candidate. Its physicochemical properties, such as boiling point (109 °C at 0.4 mmHg) and density, are characterized for synthetic applications.
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| Toxicity/Toxicokinetics |
Toxicological studies are not conducted on Dimethyl (2-oxoheptyl)phosphonate. The compound is handled as a chemical reagent with standard laboratory precautions. Its safety data sheet indicates it is for research use only. Appropriate protective measures should be taken when handling.
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| Additional Infomation |
Dimethyl (2-oxoheptyl)phosphonate (CAS 36969-89-8) is a β-keto phosphonate ester that functions as a versatile building block in organic synthesis. It is used in the Horner-Wadsworth-Emmons reaction for the synthesis of various pharmaceutical intermediates and natural products. The compound has a molecular formula of C₉H₁₉O₄P and a molecular weight of 222.22. This product is for research use only.
|
| Molecular Formula |
C9H19O4P
|
|---|---|
| Molecular Weight |
222.2185
|
| Exact Mass |
222.102
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| CAS # |
36969-89-8
|
| PubChem CID |
580181
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| Appearance |
Typically exists as solid at room temperature
|
| Density |
1.1±0.1 g/cm3
|
| Boiling Point |
316.0±0.0 °C at 760 mmHg
|
| Flash Point |
147.6±42.9 °C
|
| Vapour Pressure |
0.0±0.6 mmHg at 25°C
|
| Index of Refraction |
1.426
|
| LogP |
1.66
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
8
|
| Heavy Atom Count |
14
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| Complexity |
207
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| Defined Atom Stereocenter Count |
0
|
| SMILES |
P(C([H])([H])C(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])=O)(=O)(OC([H])([H])[H])OC([H])([H])[H]
|
| InChi Key |
LQZCYXCHWNQBKX-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C9H19O4P/c1-4-5-6-7-9(10)8-14(11,12-2)13-3/h4-8H2,1-3H3
|
| Chemical Name |
1-dimethoxyphosphorylheptan-2-one
|
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.5000 mL | 22.5002 mL | 45.0005 mL | |
| 5 mM | 0.9000 mL | 4.5000 mL | 9.0001 mL | |
| 10 mM | 0.4500 mL | 2.2500 mL | 4.5000 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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