Cas no 1256360-61-8 (N-(4-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-)
N-(4-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2- Chemical and Physical Properties
Names and Identifiers
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- N-(4-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)cyclopentanamine
- N-(4-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxa-borolan-2-yl)benzyl)cyclopentanamine
- 2-(Cyclopentylamino)methyl-5-fluorophenylboronic acid pinacol ester
- X0495
- N-(4-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-
- MFCD18087743
- 2-(Cyclopentylamino)methyl-5-fluorophenylboronic acid, pinacol ester
- F74129
- AKOS016004584
- DB-364195
- BS-19930
- CS-0175515
- N-[[4-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]cyclopentanamine
- Benzenemethanamine, N-cyclopentyl-4-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
- 1256360-61-8
- DTXSID20682382
- N-{[4-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}cyclopentanamine
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- MDL: MFCD18087743
- Inchi: 1S/C18H27BFNO2/c1-17(2)18(3,4)23-19(22-17)16-11-14(20)10-9-13(16)12-21-15-7-5-6-8-15/h9-11,15,21H,5-8,12H2,1-4H3
- InChI Key: HYTRIBUOMWRGCY-UHFFFAOYSA-N
- SMILES: FC1=CC=C(C(B2OC(C)(C)C(C)(C)O2)=C1)CNC1CCCC1
Computed Properties
- Exact Mass: 319.21200
- Monoisotopic Mass: 319.2118874g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 23
- Rotatable Bond Count: 4
- Complexity: 396
- 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
- Topological Polar Surface Area: 30.5?2
Experimental Properties
- PSA: 30.49000
- LogP: 3.54800
N-(4-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2- Customs Data
- HS CODE:2934999090
- Customs Data:
China Customs Code:
2934999090Overview:
2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to
Summary:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
N-(4-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A019140251-10g |
N-(4-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)cyclopentanamine |
1256360-61-8 | 95% | 10g |
$587.10 | 2023-09-03 | |
| TRC | C990013-100mg |
2-(Cyclopentylamino)methyl-5-fluorophenylboronic acid, pinacol ester |
1256360-61-8 | 100mg |
$64.00 | 2023-05-18 | ||
| TRC | C990013-250mg |
2-(Cyclopentylamino)methyl-5-fluorophenylboronic acid, pinacol ester |
1256360-61-8 | 250mg |
$98.00 | 2023-05-18 | ||
| TRC | C990013-500mg |
2-(Cyclopentylamino)methyl-5-fluorophenylboronic acid, pinacol ester |
1256360-61-8 | 500mg |
$150.00 | 2023-05-18 | ||
| TRC | C990013-1g |
2-(Cyclopentylamino)methyl-5-fluorophenylboronic acid, pinacol ester |
1256360-61-8 | 1g |
$207.00 | 2023-05-18 | ||
| Fluorochem | 228671-1g |
N-(4-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)cyclopentanamine |
1256360-61-8 | 95% | 1g |
£150.00 | 2022-02-28 | |
| Fluorochem | 228671-5g |
N-(4-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)cyclopentanamine |
1256360-61-8 | 95% | 5g |
£450.00 | 2022-02-28 | |
| Fluorochem | 228671-10g |
N-(4-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)cyclopentanamine |
1256360-61-8 | 95% | 10g |
£750.00 | 2022-02-28 | |
| eNovation Chemicals LLC | Y1233372-250mg |
Benzenemethanamine, N-cyclopentyl-4-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- |
1256360-61-8 | 98% | 250mg |
$100 | 2024-06-08 | |
| eNovation Chemicals LLC | Y1233372-1g |
Benzenemethanamine, N-cyclopentyl-4-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- |
1256360-61-8 | 98% | 1g |
$195 | 2025-02-20 |
N-(4-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2- Related Literature
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
Additional information on N-(4-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-
Introduction to Compound with CAS No. 1256360-61-8 and Product Name: N-(4-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)amine
The compound with the CAS number 1256360-61-8 and the product name N-(4-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)amine represents a significant advancement in the field of pharmaceutical chemistry. This compound has garnered considerable attention due to its unique structural properties and potential applications in drug development. The presence of a fluoro-substituent and a tetramethyl-1,3,2-dioxaborolan moiety makes it a versatile intermediate for various synthetic transformations, particularly in cross-coupling reactions that are pivotal in modern medicinal chemistry.
Recent research has highlighted the importance of fluorinated aromatic compounds in the design of novel therapeutic agents. The fluoro-substituent at the 4-position of the phenyl ring in this compound enhances its lipophilicity and metabolic stability, which are critical factors for drug efficacy and bioavailability. Moreover, the tetramethyl-1,3,2-dioxaborolan group serves as an effective handle for palladium-catalyzed cross-coupling reactions, enabling the construction of complex molecular architectures with high precision.
In the realm of pharmaceutical innovation, this compound has been explored as a precursor for the synthesis of small-molecule inhibitors targeting various biological pathways. For instance, studies have demonstrated its utility in generating derivatives that interact with enzymes involved in cancer metabolism. The phenyl ring with its fluoro-substituent and boronic acid functionality allows for selective modifications, facilitating the development of highly specific pharmacophores. This adaptability makes it a valuable building block for medicinal chemists seeking to optimize drug candidates.
The use of tetramethyl-1,3,2-dioxaborolan is particularly noteworthy due to its stability under various reaction conditions. This stability ensures that the boronic acid moiety remains intact during synthetic procedures, thereby maintaining the integrity of the intermediate. Such characteristics are essential for large-scale production and industrial applications where reproducibility is paramount. Furthermore, the compound's compatibility with green chemistry principles has been noted, as boronic acids can be synthesized using less hazardous reagents compared to traditional electrophilic aromatic substitution methods.
Current research trends indicate that compounds featuring both fluoro-substituents and boronic acid groups are emerging as key players in next-generation drug discovery. The combination of these functional groups not only enhances chemical diversity but also improves pharmacokinetic profiles. For example, recent publications have described the use of similar intermediates in developing kinase inhibitors that exhibit improved solubility and reduced toxicity. The versatility of N-(4-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)amine aligns well with these trends.
From a synthetic chemistry perspective, this compound exemplifies the power of transition metal catalysis in constructing complex organic molecules. The ability to perform cross-coupling reactions efficiently at multiple sites within the molecule allows for rapid diversification of molecular structures. This capability is particularly valuable in high-throughput screening programs where large libraries of compounds need to be generated rapidly. The precision offered by such methodologies ensures that only promising candidates proceed to further testing phases.
The potential applications extend beyond oncology into other therapeutic areas such as inflammation and neurodegeneration. The structural motif present in this compound can be modified to target specific disease pathways by altering substituents on the phenyl ring or introducing additional functional groups. Preliminary computational studies have suggested that derivatization at certain positions could enhance binding affinity to biological targets without compromising overall pharmacological activity.
In conclusion,N-(4-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)amine (CAS No. 1256360-61-8) represents a promising candidate for further exploration in pharmaceutical research. Its unique combination of structural features—particularly the fluoro-substituent, tetramethyl-1,3,2-dioxaborolan, and aromatic backbone—makes it an ideal intermediate for developing novel therapeutics with improved efficacy and reduced side effects. As synthetic methodologies continue to evolve towards more sustainable practices,this compound will likely remain at forefront of drug discovery efforts.
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