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| Other Sizes |
| Targets |
1-Boc-2-(S)-pyrrolidinemethanol targets chemical reaction pathways as a chiral building block rather than biological targets. As a fragment molecule, it serves as an important scaffold for molecular splicing, extension, and modification in drug discovery. The compound provides a structural basis for the design and screening of novel drug candidates. Its Boc protecting group allows for selective deprotection under mild conditions. The compound's chiral nature allows for the synthesis of enantiomerically pure compounds.
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| ln Vitro |
In vitro studies of 1-Boc-2-(S)-pyrrolidinemethanol have focused on its role as a chiral building block and fragment molecule in organic synthesis. The compound's reactivity and stability have been characterized in various chemical reactions. It is used as a scaffold for molecular splicing, extension, and modification in drug discovery. Its purity (98%) and identity are confirmed using analytical chemistry methods such as nuclear magnetic resonance spectroscopy, high-performance liquid chromatography, and mass spectrometry.
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| ln Vivo |
In vivo studies of 1-Boc-2-(S)-pyrrolidinemethanol are not applicable as the compound is primarily used as a chemical reagent for organic synthesis rather than as a therapeutic agent. The compound is not intended for administration to living organisms. Its applications are limited to chemical research and synthesis. The compound is not approved for human therapeutic use and is intended for research purposes only.
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| Enzyme Assay |
In vitro chemical assays for 1-Boc-2-(S)-pyrrolidinemethanol involve testing its purity and reactivity as a chemical intermediate. The compound's purity (98%) and identity are confirmed using analytical chemistry methods such as nuclear magnetic resonance spectroscopy, high-performance liquid chromatography, and mass spectrometry. Its reactivity in chemical reactions is evaluated using standard organic chemistry techniques. All assays are performed with appropriate controls and standardized protocols to ensure reproducibility of results.
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| Cell Assay |
In vitro cell-based assays are not applicable for 1-Boc-2-(S)-pyrrolidinemethanol as the compound is a chemical reagent used for organic synthesis rather than a biological agent. The compound is not intended for cell-based studies as a direct pharmacological agent. Its applications are limited to chemical research and synthesis. Cell-based assays may be used to evaluate the biological activity of compounds synthesized using this building block, but the reagent itself is not tested in cell-based systems.
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| Animal Protocol |
In vivo animal experiments are not applicable for 1-Boc-2-(S)-pyrrolidinemethanol as the compound is a chemical reagent used for organic synthesis rather than a therapeutic agent. The compound is not administered to animals for pharmacological evaluation. Its applications are limited to chemical research and synthesis. The compound is not intended for in vivo use. All procedures involving the compound are conducted in laboratory settings for research purposes only.
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| ADME/Pharmacokinetics |
The pharmacokinetic properties of 1-Boc-2-(S)-pyrrolidinemethanol are not applicable as the compound is a chemical reagent used for organic synthesis rather than a therapeutic agent. It has a molecular weight of 201.26 and the molecular formula C10H19NO3. The compound has a purity of 98%. Its physicochemical properties including solubility and stability are characterized for its use as a chemical reagent.
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| Toxicity/Toxicokinetics |
The toxicity profile of 1-Boc-2-(S)-pyrrolidinemethanol has been evaluated in the context of its use as a research chemical. As a biochemical reagent, it is intended for laboratory use only. Proper handling procedures including use of personal protective equipment are recommended when working with pure compound. The compound is not approved for human therapeutic use and is intended for research purposes only.
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| Additional Infomation |
See also: ...View more...
1-Boc-2-(S)-pyrrolidinemethanol (CAS# 69610-40-8) is also known as N-Boc-L-prolinol. It has the molecular formula C10H19NO3 and a molecular weight of 201.26. The compound is a chiral building block widely used in organic synthesis and pharmaceutical research. It features a pyrrolidine ring, a hydroxyl group, and a Boc protecting group. As a fragment molecule, it serves as an important scaffold for molecular splicing, extension, and modification in drug discovery. The compound has a purity of 98%. |
| Molecular Formula |
C10H19NO3
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|---|---|
| Molecular Weight |
201.26
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| Exact Mass |
201.136
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| CAS # |
69610-40-8
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| PubChem CID |
643448
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| Appearance |
White to yellow solid powder
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
289.5±13.0 °C at 760 mmHg
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| Melting Point |
60-64ºC
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| Flash Point |
128.9±19.8 °C
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| Vapour Pressure |
0.0±1.3 mmHg at 25°C
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| Index of Refraction |
1.484
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| LogP |
0.46
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
14
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| Complexity |
210
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| Defined Atom Stereocenter Count |
1
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| SMILES |
[C@@H]1(N(C(OC(C)(C)C)=O)CCC1)CO
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| InChi Key |
BFFLLBPMZCIGRM-QMMMGPOBSA-N
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| InChi Code |
InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11-6-4-5-8(11)7-12/h8,12H,4-7H2,1-3H3/t8-/m0/s1
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| Chemical Name |
tert-butyl (2S)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
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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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.9687 mL | 24.8435 mL | 49.6870 mL | |
| 5 mM | 0.9937 mL | 4.9687 mL | 9.9374 mL | |
| 10 mM | 0.4969 mL | 2.4843 mL | 4.9687 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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