3-Oxetanone
Based on 1 Customer Validation
3-Oxetanone (Oxetan-3-one) is a four-membered cyclic ketone and strained cyclic ether derivative with measurable molecular g-value, magnetic susceptibility anisotropy and molecular quadrupole moment. 3-Oxetanone acts not only as a hydrogen bond acceptor, a tetrel donor and a weak hydrogen bond acceptor, but also forms a classic O-H···O hydrogen bond with H2O via the ether oxygen atom. Alternatively, it forms a C···O tetrel bond with formaldehyde using its carbonyl group as a tetrel donor, while acting as a proton acceptor to form a C-H···O weak hydrogen bond with formaldehyde. 3-Oxetanone can be used to prepare various oxetanes.
商品は「研究用試薬」です。人や動物の医療用・臨床診断用・食品用の製品ではありません。
研究用途以外に使用した場合、当社は一切の責任を負いかねます。
- 純度 : 99.54%
- CAS 番号: 6704-31-0
- 分子式: C3H4O2
- 分子量:72.06
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保管条件:
-20°C, stored under nitrogen
* In solvent : -80°C, 6 months; -20°C, 1 month (stored under nitrogen)
To place orders, for customer services and technical support, please contact: MedChemExpress USA
Tel: 609-228-6898 E-mail: [email protected] [email protected]
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生物活性
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化学情報
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溶剤 & 溶解度
- 純度とドキュメンテーション
- 参考文献
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Help & FAQs
生物活性
製品説明
体外実験
3-oxetanone exhibits calculated paramagnetic/diamagnetic magnetic susceptibility components as well as the second moment of electronic charge; the paramagnetism reflected by the difference between its out-of-plane magnetic susceptibility and the average in-plane magnetic susceptibility is higher than the value predicted by the localized group additivity rule[1].
The 3-oxetanone-formaldehyde complex forms a stable isomer dominated by a C···O four-center bond[2].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
化学情報
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CAS 番号 6704-31-0
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性状 Liquid (Density: 1.231 g/cm3)
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分子量 72.06
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分子式 C3H4O2
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Color Colorless to light yellow
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SMILES
O=C1COC1
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別名
Oxetan-3-one; 3-オキセタノン
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輸送条件
Room temperature in continental US; may vary elsewhere.
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保管条件
-20°C, stored under nitrogen
* In solvent : -80°C, 6 months; -20°C, 1 month (stored under nitrogen)
溶剤 & 溶解度
体外:
DMSO : 200 mg/mL (2775.46 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month (stored under nitrogen). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month (stored under nitrogen). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
濃度 (開始) × 体積 (開始) = 濃度 (終了) × 体積 (終了)
体内:
Select the appropriate dissolution method based on your experimental animal and administration route.
- For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
- To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for In Vivo experiments, it is recommended to prepare freshly and use it on the same day.
- The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.
Add each solvent one by one: 10% DMSO 40% PEG300 5% Tween-80 45% Saline
Solubility: ≥ 5 mg/mL (69.39 mM); Clear solution
This protocol yields a clear solution of ≥ 5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (50.0 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.
Preparation of Saline: Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear Saline solution.
Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)
Solubility: ≥ 5 mg/mL (69.39 mM); Clear solution
This protocol yields a clear solution of ≥ 5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (50.0 mg/mL) to 900 μL 20% SBE-β-CD in Saline, and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C, storage for one week): 2 g SBE-β-CD powder is dissolved in 10 mL Saline, completely dissolve until clear.
In Vivo Dissolution Calculator
Please enter the basic information of animal experiments:
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Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.
Please enter your animal formula composition:
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%DMSO +
Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
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%+
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+%Tween-80 + +
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%Saline +
The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).
Working solution concentration: 0.22 mg/mL
Method for preparing stock solution: mg drug dissolved in μL DMSO. Stock solution concentration: mg/mL. * In solvent : -80°C, 6 months; -20°C, 1 month (stored under nitrogen)
1. Take μL DMSO stock solution;
2. Add μL .
μL , mix evenly;
3. Then add μL Tween 80, mix evenly;
4. Then add μL
Please ensure that the stock solution in the first step is dissolved to a clear state, and add co-solvents in sequence. You can use ultrasonic heating (ultrasonic cleaner, recommended frequency 20-40 kHz), vortexing, etc. to assist dissolution.
純度とドキュメンテーション
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データシート (274 KB)
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SDS (767 KB)
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取扱説明書 (2659 KB)
参考文献
Complete Stock Solution Preparation Table
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month (stored under nitrogen). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
| Optional Solvent | Concentration Solvent Mass | 1 mg | 5 mg | 10 mg | 25 mg |
|---|---|---|---|---|---|
| DMSO | 1 mM | 13.8773 mL | 69.3866 mL | 138.7732 mL | 346.9331 mL |
| 5 mM | 2.7755 mL | 13.8773 mL | 27.7546 mL | 69.3866 mL | |
| 10 mM | 1.3877 mL | 6.9387 mL | 13.8773 mL | 34.6933 mL | |
| 15 mM | 0.9252 mL | 4.6258 mL | 9.2515 mL | 23.1289 mL | |
| 20 mM | 0.6939 mL | 3.4693 mL | 6.9387 mL | 17.3467 mL | |
| 25 mM | 0.5551 mL | 2.7755 mL | 5.5509 mL | 13.8773 mL | |
| 30 mM | 0.4626 mL | 2.3129 mL | 4.6258 mL | 11.5644 mL | |
| 40 mM | 0.3469 mL | 1.7347 mL | 3.4693 mL | 8.6733 mL | |
| 50 mM | 0.2775 mL | 1.3877 mL | 2.7755 mL | 6.9387 mL | |
| 60 mM | 0.2313 mL | 1.1564 mL | 2.3129 mL | 5.7822 mL | |
| 80 mM | 0.1735 mL | 0.8673 mL | 1.7347 mL | 4.3367 mL | |
| 100 mM | 0.1388 mL | 0.6939 mL | 1.3877 mL | 3.4693 mL |
3-Oxetanone 関連分類
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