Cas no 179250-28-3 (2-(4-N-Boc-piperazinyl)benzyl Alcohol)
2-(4-N-Boc-piperazinyl)benzyl Alcohol Chemical and Physical Properties
Names and Identifiers
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- 1-Piperazinecarboxylicacid, 4-[2-(hydroxymethyl)phenyl]-, 1,1-dimethylethyl ester
- 1-(2-hydroxymethyl-phenyl)-piperazine-4-carboxylic acid tert-butyl-ester
- tert-butyl 4-[2-(hydroxymethyl)phenyl]piperazine-1-carboxylate
- tert-butyl 4-[2-(hydroxymethyl)phenyl]tetrahydro-1(2H)-pyrazinecarboxylate
- 1-t-butoxycarbonyl-4-(2-hydroxymethylphenyl)-piperazine
- 1-tert-butoxycarbonyl-4-(2-(hydroxymethyl)phenyl)piperazine
- 2-(4-N-Boc-piperazinyl)benzyl alcohol
- 4-(2-Hydroxymethylphenyl)piperazine-1-carboxylic acid t-butyl ester
- 4-(2-hydroxymethyl-phenyl)-piperazine-1-carboxylic acid tert-butyl ester
- AC1OFHSD
- CTK4D7229
- PubChem11335
- SureCN615074
- 4-[2-(HYDROXYMETHYL)PHENYL]PIPERAZINE, N1-BOC PROTECTED
- 1-(2-HYDROXYMETHYL-PHENYL)-PIPERAZINE-4-CARBOXYLIC ACID TERT-BUTYL ESTER
- MQZUQGHXDLMAKT-UHFFFAOYSA-N
- FT-0603800
- 179250-28-3
- 1-boc-4-(2-hydroxymethyl-phenyl)-piperazine
- 1-boc-4-(hydroxymethyl-phenyl)-piperazine
- DTXSID50427804
- tert-Butyl 4-(2-(hydroxymethyl)phenyl)piperazine-1-carboxylate
- SCHEMBL615074
- MS-22252
- 1-Piperazinecarboxylic acid, 4-[2-(hydroxymethyl)phenyl]-, 1,1-dimethylethyl ester
- 1-t-butoxycarbonyl-4-(2-hydroxymethyl-phenyl)-piperazine
- TERT-BUTYL4-[2-(HYDROXYMETHYL)PHENYL]TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE
- AKOS015909400
- A3977
- W-206267
- DB-010758
- 2-(4-N-Boc-piperazinyl)benzyl Alcohol
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- MDL: MFCD06657282
- Inchi: 1S/C16H24N2O3/c1-16(2,3)21-15(20)18-10-8-17(9-11-18)14-7-5-4-6-13(14)12-19/h4-7,19H,8-12H2,1-3H3
- InChI Key: MQZUQGHXDLMAKT-UHFFFAOYSA-N
- SMILES: O(C(C)(C)C)C(N1CCN(C2C=CC=CC=2CO)CC1)=O
Computed Properties
- Exact Mass: 292.17900
- Monoisotopic Mass: 292.17869263g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 21
- Rotatable Bond Count: 5
- Complexity: 346
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.8
- Topological Polar Surface Area: 53?2
Experimental Properties
- Density: 1.2±0.1 g/cm3
- Melting Point: 67 °C
- Boiling Point: 440.9±45.0 °C at 760 mmHg
- Flash Point: 220.5±28.7 °C
- Refractive Index: 1.553
- PSA: 53.01000
- LogP: 2.23890
- Vapor Pressure: 0.0±1.1 mmHg at 25°C
2-(4-N-Boc-piperazinyl)benzyl Alcohol Security Information
- Signal Word:warning
- Hazard Statement: H303+H313+H333
- Warning Statement: P264+P280+P305+P351+P338+P337+P313
- Safety Instruction: H303+H313+H333
- Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
2-(4-N-Boc-piperazinyl)benzyl Alcohol Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | B663410-100mg |
2-(4-N-Boc-piperazinyl)benzyl Alcohol |
179250-28-3 | 100mg |
$ 50.00 | 2022-06-07 | ||
| TRC | B663410-500mg |
2-(4-N-Boc-piperazinyl)benzyl Alcohol |
179250-28-3 | 500mg |
$ 185.00 | 2022-06-07 | ||
| TRC | B663410-1g |
2-(4-N-Boc-piperazinyl)benzyl Alcohol |
179250-28-3 | 1g |
$ 275.00 | 2022-06-07 |
2-(4-N-Boc-piperazinyl)benzyl Alcohol Related Literature
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
Additional information on 2-(4-N-Boc-piperazinyl)benzyl Alcohol
Professional Introduction to Compound with CAS No. 179250-28-3 and Product Name: 2-(4-N-Boc-piperazinyl)benzyl Alcohol
Compound with the CAS number 179250-28-3, identified by the product name 2-(4-N-Boc-piperazinyl)benzyl Alcohol, represents a significant advancement in the field of pharmaceutical chemistry and medicinal biology. This compound has garnered considerable attention due to its unique structural properties and potential therapeutic applications. The presence of a Boc (tert-butoxycarbonyl)-protected piperazine moiety in its molecular structure suggests its utility in the synthesis of biologically active molecules, particularly those targeting neurological and cardiovascular disorders.
The 4-N-Boc-piperazine group is a well-documented pharmacophore in drug discovery, known for its ability to enhance binding affinity and selectivity when incorporated into small-molecule inhibitors. This feature makes 2-(4-N-Boc-piperazinyl)benzyl Alcohol a valuable intermediate in the development of novel therapeutic agents. Recent studies have highlighted the importance of piperazine derivatives in modulating enzyme activity, particularly in the context of kinases and phosphodiesterases, which are critical targets in oncology and inflammatory diseases.
In the realm of medicinal chemistry, the benzyl alcohol moiety serves as an effective solubilizing agent, improving the pharmacokinetic properties of drug candidates. The combination of these structural elements in 2-(4-N-Boc-piperazinyl)benzyl Alcohol positions it as a versatile building block for further derivatization. Researchers have leveraged this compound to develop novel scaffolds with enhanced metabolic stability and reduced toxicity, aligning with current trends toward precision medicine.
Recent advancements in computational chemistry have enabled more efficient virtual screening processes, allowing for rapid identification of potential drug candidates. The structural features of 2-(4-N-Boc-piperazinyl)benzyl Alcohol have been computationally analyzed to predict its interaction with various biological targets. These simulations have revealed promising binding affinities with enzymes implicated in metabolic disorders, suggesting its potential as a lead compound for further optimization.
The role of Boc-protected piperazines in drug development extends beyond their structural contributions; they also play a crucial role in protecting reactive amine groups during synthetic processes. This protection-deprotection strategy is essential for achieving high yields and purity in multi-step syntheses. The synthesis of 2-(4-N-Boc-piperazinyl)benzyl Alcohol exemplifies these principles, showcasing a streamlined approach that balances efficiency with scalability.
Current research initiatives are exploring the application of this compound in treating neurodegenerative diseases, where modulation of neurotransmitter systems is key. Preclinical studies have demonstrated that derivatives of 2-(4-N-Boc-piperazinyl)benzyl Alcohol exhibit neuroprotective effects by inhibiting aberrant signaling pathways associated with conditions such as Alzheimer's disease and Parkinson's disease. These findings underscore the compound's potential as a therapeutic agent.
The pharmaceutical industry has increasingly adopted green chemistry principles to minimize environmental impact while maintaining efficacy. The synthesis of 2-(4-N-Boc-piperazinyl)benzyl Alcohol adheres to these principles by employing catalytic methods that reduce waste and energy consumption. Such sustainable approaches are critical for ensuring the long-term viability of drug development programs.
Another area where this compound shows promise is in the treatment of cardiovascular diseases. Piperazine derivatives have been shown to modulate vascular tone and inhibit platelet aggregation, making them attractive candidates for antihypertensive and antiplatelet therapies. The benzyl alcohol component further enhances bioavailability, ensuring consistent therapeutic effects across diverse patient populations.
In conclusion, 2-(4-N-Boc-piperazinyl)benzyl Alcohol (CAS No. 179250-28-3) represents a significant contribution to modern pharmaceutical research. Its unique structural features, combined with its potential therapeutic applications, make it a valuable asset in drug discovery efforts. As research continues to uncover new biological targets and synthetic methodologies, compounds like this will play an increasingly important role in addressing complex diseases and improving patient outcomes.
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