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| Other Sizes |
| Targets |
(S)-1-Benzylpyrrolidin-3-ol does not have a specific pharmacological target as it is a chiral building block for organic synthesis. Its function is to serve as a precursor or intermediate for the synthesis of more complex molecules, including pharmaceutical compounds. The compound's chiral nature makes it valuable for the synthesis of enantiomerically pure compounds. Its benzyl group serves as a protecting group that can be removed under appropriate conditions. The compound is used in medicinal chemistry for the synthesis of drug candidates.
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| ln Vitro |
In vitro, (S)-1-Benzylpyrrolidin-3-ol is used as a chiral building block in organic synthesis. The compound is used to synthesize impurities of other compounds. It is used in the synthesis of pharmaceutical compounds and other biologically active molecules. The compound's chiral nature makes it valuable for the synthesis of enantiomerically pure compounds. Its benzyl group serves as a protecting group that can be removed under appropriate conditions. The compound is typically used in organic synthesis reactions rather than biological assays.
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| ln Vivo |
(S)-1-Benzylpyrrolidin-3-ol is not used as a therapeutic agent but as a synthetic intermediate for the preparation of pharmaceutical compounds. The compound itself is not biologically active and is used solely as a chemical building block. The compound may be used in the synthesis of drug candidates or other biologically active molecules. Its role is limited to chemical synthesis and drug discovery. The compound is intended for research use only.
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| Enzyme Assay |
In vitro synthetic procedures using (S)-1-Benzylpyrrolidin-3-ol typically involve its use as a starting material or intermediate in organic synthesis. The compound is dissolved in appropriate organic solvents (e.g., DCM, THF, methanol) for reactions. It can be used in various reactions including alkylation, acylation, oxidation, and reduction. The benzyl protecting group can be removed by hydrogenation or other deprotection methods. The compound's purity and identity are confirmed by HPLC, NMR, and mass spectrometry. The compound is typically stored at room temperature in a tightly closed container.
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| Cell Assay |
Cell-based assays using (S)-1-Benzylpyrrolidin-3-ol are not typical as the compound is a synthetic intermediate rather than a bioactive molecule. However, the compound may be used to synthesize compounds that are tested in cell-based assays. The compound itself would not be expected to have significant biological activity. Its role is limited to chemical synthesis and drug discovery.
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| Animal Protocol |
In vivo animal experiments using (S)-1-Benzylpyrrolidin-3-ol are not typical as the compound is a synthetic intermediate rather than a therapeutic agent. The compound may be used in the synthesis of drug candidates that are subsequently tested in animal models. The compound itself is not administered to animals for therapeutic purposes. Its role is limited to chemical synthesis and drug discovery.
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| ADME/Pharmacokinetics |
(S)-1-Benzylpyrrolidin-3-ol has a molecular weight of 177.24 g/mol and the formula C11H15NO. The compound appears as a very pale yellow to yellow liquid. For storage, the compound is kept in a tightly closed container at room temperature. It is a chiral heterocyclic building block. The compound is also known as (3S)-1-benzylpyrrolidin-3-ol. It is used as a research chemical for the synthesis of pharmaceutical compounds and organic synthesis.
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| Toxicity/Toxicokinetics |
Specific toxicological data for (S)-1-Benzylpyrrolidin-3-ol are not provided in the available sources. As a research chemical, it is intended for laboratory use only and is not for human consumption. Standard laboratory safety precautions should be followed when handling this compound, including the use of gloves and eye protection. The compound may cause irritation to skin, eyes, and respiratory tract upon contact.
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| References | |
| Additional Infomation |
(S)-1-Benzylpyrrolidin-3-ol (CAS 101385-90-4) is an enantiopure chiral secondary alcohol featuring a pyrrolidine core N-substituted with a benzyl protecting group. It has the molecular formula C11H15NO and a molecular weight of 177.24 g/mol. The compound is a chiral heterocyclic building block. It appears as a very pale yellow to yellow liquid. (S)-1-Benzylpyrrolidin-3-ol is used as a research chemical for the synthesis of pharmaceutical compounds and organic synthesis. The compound is intended for research use only.
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| Molecular Formula |
C11H15NO
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|---|---|
| Molecular Weight |
177.2429
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| Exact Mass |
175.136
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| CAS # |
101385-90-4
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| PubChem CID |
2733875
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| Appearance |
Liquid
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| Density |
1.0±0.1 g/cm3
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| Boiling Point |
237.3±9.0 °C at 760 mmHg
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| Flash Point |
88.7±15.6 °C
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| Vapour Pressure |
0.0±0.5 mmHg at 25°C
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| Index of Refraction |
1.540
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| LogP |
2.68
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
13
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| Complexity |
154
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| Defined Atom Stereocenter Count |
1
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| SMILES |
O([H])[C@@]1([H])C([H])([H])C([H])([H])N(C([H])([H])C2C([H])=C([H])C([H])=C([H])C=2[H])C1([H])[H]
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| InChi Key |
YQMXOIAIYXXXEE-NSHDSACASA-N
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| InChi Code |
InChI=1S/C11H15NO/c13-11-6-7-12(9-11)8-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2/t11-/m0/s1
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| Chemical Name |
(3S)-1-benzylpyrrolidin-3-ol
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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 |
| 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 : ~250 mg/mL (~1410.44 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (11.73 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 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 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to 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: ≥ 2.08 mg/mL (11.73 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 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. 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. View More
Solubility in Formulation 3: ≥ 2.08 mg/mL (11.73 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 5.6421 mL | 28.2103 mL | 56.4207 mL | |
| 5 mM | 1.1284 mL | 5.6421 mL | 11.2841 mL | |
| 10 mM | 0.5642 mL | 2.8210 mL | 5.6421 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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