| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
Dipivaloylmethane does not have a defined pharmacological target as it is a chemical reagent and ligand. The compound is used as a bidentate ligand in the synthesis of metal complexes for catalysis. It is also employed in copper- or iron-catalyzed arylation of phenols. Its primary applications are in inorganic and organic chemistry rather than as a therapeutic agent.
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|---|---|
| ln Vitro |
2,2,6,6-Tetramethyl-3,5-heptanedione is employed in the production of dicyanamidobenzene-biruthenium complex and α-aryl-β-dione 1.
No specific in vitro pharmacological activity data are available for Dipivaloylmethane as it is a chemical reagent. In research settings, the compound is used as a ligand and building block for synthesizing metal complexes that are subsequently studied for catalytic activity. Its activity is assessed in terms of coordination chemistry and catalytic efficiency rather than direct biological activity. |
| ln Vivo |
No specific in vivo pharmacological activity data have been documented for Dipivaloylmethane as it is not a therapeutic agent. The compound is used exclusively as a chemical reagent and ligand in coordination chemistry. It is not administered to animals for pharmacological evaluation. Its applications are limited to organic synthesis and catalysis research.
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| Enzyme Assay |
For non-cellular assays, Dipivaloylmethane is characterized by standard analytical techniques including GC, NMR, and mass spectrometry to confirm identity and purity. Purity is typically ≥97.0% by GC. The compound has a density of 0.90, refractive index of 1.46, and flash point of 67°C. Typical protocols involve using the compound as a ligand in metal complex synthesis or as a reagent in organic reactions.
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| Cell Assay |
For in vitro cell-based studies, Dipivaloylmethane is not typically used as a direct test compound. It is a chemical reagent for synthetic chemistry applications. If handled in a biological laboratory context, appropriate safety precautions should be taken due to its flammability. The compound should be stored in a cool, dry place away from heat and open flames.
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| Animal Protocol |
For in vivo animal studies, Dipivaloylmethane is not typically administered as a test compound. It is used as a chemical reagent and ligand in catalysis research. If used in toxicological studies, it would be administered via appropriate routes with suitable formulations. Standard animal welfare guidelines should be followed.
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| ADME/Pharmacokinetics |
Dipivaloylmethane has a molecular weight of 184.28 and formula C₁₁H₂₀O₂. It is a liquid at room temperature with a melting point of 19°C, boiling point of 80°C at 12 mmHg, and flash point of 67°C. Density: 0.90, refractive index: 1.46. Storage: room temperature in a cool and dark place (<15°C). The compound is combustible.
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| Toxicity/Toxicokinetics |
Dipivaloylmethane is for research use only and not for human consumption. It is classified as a combustible liquid with signal word Warning. Hazard statement: H227 (Combustible liquid). Precautionary statements include P210 (Keep away from heat/sparks/open flames), P280 (Wear protective gloves/eye protection), and P403+P235 (Store in a well-ventilated place. Keep cool).
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| Additional Infomation |
Cadmium chelating agent; structure
Dipivaloylmethane (CAS 1118-71-4) is also known as 2,2,6,6-tetramethyl-3,5-heptanedione and DPM. It is a β-diketone featuring bulky tetramethyl-substituted alkyl groups. The compound is used as a bidentate ligand in coordination chemistry and in copper- or iron-catalyzed arylation of phenols. No clinical trials or therapeutic approvals exist. |
| Molecular Formula |
C11H20O2
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|---|---|
| Molecular Weight |
184.28
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| Exact Mass |
184.146
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| CAS # |
1118-71-4
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| PubChem CID |
70700
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| Appearance |
Colorless to light yellow <28°C solid powder,>30°C liquid
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| Density |
0.9±0.1 g/cm3
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| Boiling Point |
202.8±0.0 °C at 760 mmHg
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| Melting Point |
19 °C
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| Flash Point |
67.2±0.0 °C
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| Vapour Pressure |
0.3±0.4 mmHg at 25°C
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| Index of Refraction |
1.432
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| LogP |
2.8
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
13
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| Complexity |
189
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O=C(C([H])([H])C(C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
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| InChi Key |
YRAJNWYBUCUFBD-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C11H20O2/c1-10(2,3)8(12)7-9(13)11(4,5)6/h7H2,1-6H3
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| Chemical Name |
2,2,6,6-tetramethylheptane-3,5-dione
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: (1). This product requires protection from light (avoid light exposure) during transportation and storage. (2). Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO: ~50 mg/mL (~271.3 mM; with ultrasonication)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (13.57 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), Clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (25.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (13.57 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), Clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (25.0 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.5 mg/mL (13.57 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), Clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (25.0 mg/mL) to 900 μL of corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 5.4265 mL | 27.1326 mL | 54.2652 mL | |
| 5 mM | 1.0853 mL | 5.4265 mL | 10.8530 mL | |
| 10 mM | 0.5427 mL | 2.7133 mL | 5.4265 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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