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| Other Sizes |
| Targets |
Boc-D-Pro-ol is classified as a protected amino alcohol and a chiral building block for organic synthesis. It does not have a specific biological receptor target; rather, its primary applications are in advanced peptide synthesis and asymmetric catalysis. The N-Boc group provides robust protection of the amine, enabling highly selective transformations. Its distinct chiral configuration aids in developing enantioselective methodologies. It is used in the design of peptidomimetics, pharmaceutical intermediates, and studies of stereoselective biochemical processes.
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| ln Vitro |
In vitro activity for Boc-D-Pro-ol is not applicable as a standalone biological agent. It functions as a chemical reagent and synthetic intermediate rather than a directly bioactive compound. Its utility lies in its role as a building block for the synthesis of more complex molecules, such as chiral drug intermediates and peptidomimetics, which may subsequently be evaluated for biological activity. It is not typically used in cell-based assays in its native form.
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| ln Vivo |
In vivo activity data for Boc-D-Pro-ol as a standalone compound is not applicable, as it is a protected amino alcohol used as a research building block. The compound is not intended for direct in vivo administration. Its value is in the preparation of chiral intermediates and final drug candidates that may be evaluated in animal models for therapeutic efficacy. The Boc protecting group is typically removed before any biological testing of the derived compounds.
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| Enzyme Assay |
In vitro protocols for Boc-D-Pro-ol are primarily synthetic. In peptide synthesis, the compound can be used after deprotection to introduce a D-prolinol residue. For use as a chiral auxiliary, standard organic chemistry procedures apply, where the compound is reacted with various electrophiles or used as a ligand in asymmetric reactions. Its purity is typically ≥98% by GC or HPLC. The Boc group is cleaved under acidic conditions (e.g., TFA) for further functionalization.
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| Cell Assay |
Cell-based protocols are not applicable to Boc-D-Pro-ol as it is a synthetic building block. It is not used in cell culture. The compound is a protected amino alcohol used in organic synthesis. Any biological testing would be performed on the final, deprotected molecules synthesized from this intermediate. The compound should be handled as a standard laboratory chemical.
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| Animal Protocol |
Animal studies are not conducted with Boc-D-Pro-ol directly. The compound may be used as a synthetic intermediate to prepare compounds that are subsequently evaluated in animal models. The Boc protecting group is typically removed before any biological testing. Standard synthetic chemistry protocols are used to convert this intermediate into target molecules for pharmaceutical research.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of Boc-D-Pro-ol are not applicable as it is a research intermediate. The compound has a molecular weight of 201.26 g/mol, a calculated LogP of 0.46, and is insoluble in water. It is soluble in organic solvents like methanol and DMSO. It has a melting point of 59-62°C and a boiling point of 289.5°C. Storage is recommended at room temperature in a cool, dark place.
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| Toxicity/Toxicokinetics |
Toxicological data for Boc-D-Pro-ol is limited but indicates it can cause skin and eye irritation. The compound is for research use only and not intended for human therapeutic use. Standard safety precautions should be observed, including wearing protective gloves and eye/face protection. In case of contact with skin or eyes, rinse with plenty of water. No specific systemic toxicity studies have been reported.
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| References |
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| Additional Infomation |
Boc-D-Pro-ol (CAS#: 83435-58-9) is also known as N-Boc-D-prolinol, N-tert-butoxycarbonyl-D-prolinol, and (R)-(+)-1-Boc-2-pyrrolidinemethanol. Its IUPAC name is tert-butyl (2R)-2-(hydroxymethyl)pyrrolidine-1-carboxylate. It is a key chiral building block for the synthesis of pharmaceutical intermediates and is used in asymmetric catalysis. It has no approved therapeutic indications and is not in clinical trials.
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| Molecular Formula |
C10H19NO3
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|---|---|
| Molecular Weight |
201.2628
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| Exact Mass |
201.136
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| CAS # |
83435-58-9
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| PubChem CID |
688279
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| Appearance |
White to off-white 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 |
59-62 ºC
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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(N1CCC[C@@H]1CO)(=O)OC(C)(C)C
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| InChi Key |
BFFLLBPMZCIGRM-MRVPVSSYSA-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-/m1/s1
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| Chemical Name |
tert-butyl (2R)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
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| Synonyms |
Boc-D-Pro-ol; N-Boc-D-prolinol
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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: ~100 mg/mL (~496.9 mM; with ultrasonication)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 5 mg/mL (24.84 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 (50.0 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: ≥ 5 mg/mL (24.84 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 (50.0 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: ≥ 5 mg/mL (24.84 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 (50.0 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 | 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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