Cas no 1260893-18-2 (Tert-butyl 4-(hydroxymethyl)-4-(trifluoromethyl)piperidine-1-carboxylate)
Tert-butyl 4-(hydroxymethyl)-4-(trifluoromethyl)piperidine-1-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- tert-butyl 4-(hydroxymethyl)-4-(trifluoromethyl)piperidine-1-carboxylate
- SB15561
- P11225
- 1-Boc-4-(hydroxymethyl)-4-(trifluoromethyl)piperidine
- t-Butyl 4-(hydroxymethyl)-4-(trifluoromethyl)piperidine-1-carboxylate
- 1-Piperidinecarboxylic acid, 4-(hydroxymethyl)-4-(trifluoromethyl)-, 1,1-dimethylethyl ester
- CS-0056561
- tert-butyl4-(hydroxymethyl)-4-(trifluoromethyl)piperidine-1-carboxylate
- 1260893-18-2
- SCHEMBL23536114
- EN300-6201498
- AS-80136
- MFCD11848162
- Tert-butyl 4-(hydroxymethyl)-4-(trifluoromethyl)piperidine-1-carboxylate
-
- MDL: MFCD11848162
- Inchi: 1S/C12H20F3NO3/c1-10(2,3)19-9(18)16-6-4-11(8-17,5-7-16)12(13,14)15/h17H,4-8H2,1-3H3
- InChI Key: CXJLSBIXCPFDGX-UHFFFAOYSA-N
- SMILES: FC(C1(CO)CCN(C(=O)OC(C)(C)C)CC1)(F)F
Computed Properties
- Exact Mass: 283.13952799g/mol
- Monoisotopic Mass: 283.13952799g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 328
- 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: 2.1
- Topological Polar Surface Area: 49.8
Tert-butyl 4-(hydroxymethyl)-4-(trifluoromethyl)piperidine-1-carboxylate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM476381-100mg |
1-Piperidinecarboxylic acid, 4-(hydroxymethyl)-4-(trifluoromethyl)-, 1,1-dimethylethyl ester |
1260893-18-2 | 95%+ | 100mg |
$427 | 2022-09-03 | |
| Chemenu | CM476381-250mg |
1-Piperidinecarboxylic acid, 4-(hydroxymethyl)-4-(trifluoromethyl)-, 1,1-dimethylethyl ester |
1260893-18-2 | 95%+ | 250mg |
$854 | 2022-09-03 | |
| eNovation Chemicals LLC | D605387-100mg |
tert-butyl 4-(hydroxymethyl)-4-(trifluoromethyl)piperidine-1-carboxylate |
1260893-18-2 | 97% | 100mg |
$160 | 2024-07-21 | |
| eNovation Chemicals LLC | D605387-250MG |
tert-butyl 4-(hydroxymethyl)-4-(trifluoromethyl)piperidine-1-carboxylate |
1260893-18-2 | 97% | 250mg |
$360 | 2024-07-21 | |
| eNovation Chemicals LLC | D605387-500MG |
tert-butyl 4-(hydroxymethyl)-4-(trifluoromethyl)piperidine-1-carboxylate |
1260893-18-2 | 97% | 500mg |
$725 | 2024-07-21 | |
| eNovation Chemicals LLC | D605387-1G |
tert-butyl 4-(hydroxymethyl)-4-(trifluoromethyl)piperidine-1-carboxylate |
1260893-18-2 | 97% | 1g |
$1340 | 2024-07-21 | |
| eNovation Chemicals LLC | D605387-5G |
tert-butyl 4-(hydroxymethyl)-4-(trifluoromethyl)piperidine-1-carboxylate |
1260893-18-2 | 97% | 5g |
$4960 | 2024-07-21 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1127201-100mg |
tert-Butyl 4-(hydroxymethyl)-4-(trifluoromethyl)piperidine-1-carboxylate |
1260893-18-2 | 98% | 100mg |
¥1054.00 | 2024-08-09 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1127201-250mg |
tert-Butyl 4-(hydroxymethyl)-4-(trifluoromethyl)piperidine-1-carboxylate |
1260893-18-2 | 98% | 250mg |
¥2739.00 | 2024-08-09 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1127201-500mg |
tert-Butyl 4-(hydroxymethyl)-4-(trifluoromethyl)piperidine-1-carboxylate |
1260893-18-2 | 98% | 500mg |
¥5056.00 | 2024-08-09 |
Tert-butyl 4-(hydroxymethyl)-4-(trifluoromethyl)piperidine-1-carboxylate Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
Additional information on Tert-butyl 4-(hydroxymethyl)-4-(trifluoromethyl)piperidine-1-carboxylate
Recent Advances in the Application of Tert-butyl 4-(hydroxymethyl)-4-(trifluoromethyl)piperidine-1-carboxylate (CAS: 1260893-18-2) in Chemical Biology and Pharmaceutical Research
The compound Tert-butyl 4-(hydroxymethyl)-4-(trifluoromethyl)piperidine-1-carboxylate (CAS: 1260893-18-2) has recently emerged as a key intermediate in the synthesis of biologically active molecules, particularly in the development of novel pharmaceuticals targeting central nervous system (CNS) disorders and metabolic diseases. This piperidine derivative, characterized by its trifluoromethyl and hydroxymethyl functional groups, offers unique physicochemical properties that enhance drug-like characteristics, including improved metabolic stability and blood-brain barrier permeability.
Recent studies have highlighted the role of this compound in the synthesis of potent gamma-aminobutyric acid (GABA) receptor modulators. A 2023 publication in the Journal of Medicinal Chemistry demonstrated its utility as a building block for the development of next-generation anxiolytics with reduced side-effect profiles. The trifluoromethyl group, in particular, was shown to significantly enhance binding affinity to GABA-A receptor subtypes while the hydroxymethyl group facilitated further structural modifications.
In the field of protease inhibitor development, researchers at several major pharmaceutical companies have incorporated this piperidine derivative into novel scaffolds targeting viral proteases. The compound's structural flexibility allows for the introduction of various pharmacophores while maintaining optimal spatial orientation for target binding. A recent patent application (WO2023051234) describes its use in the synthesis of covalent inhibitors of SARS-CoV-2 main protease, showing promising in vitro activity against multiple variants of concern.
The synthetic accessibility of 1260893-18-2 has been significantly improved through recent methodological advances. A 2024 report in Organic Process Research & Development detailed a scalable, continuous-flow synthesis route that achieves >90% yield with excellent enantioselectivity. This development is particularly important as demand for the compound has increased substantially in both academic and industrial research settings.
From a medicinal chemistry perspective, the presence of both the hydroxymethyl and trifluoromethyl groups on the piperidine ring provides multiple vectors for structure-activity relationship (SAR) exploration. Computational studies published in late 2023 suggest that these functional groups participate in unique halogen bonding interactions with biological targets, potentially explaining the enhanced potency observed in several compound series derived from this intermediate.
Looking forward, the application of 1260893-18-2 appears poised for expansion into additional therapeutic areas. Preliminary data presented at the 2024 American Chemical Society National Meeting demonstrated its incorporation into novel radiopharmaceuticals for positron emission tomography (PET) imaging, leveraging the fluorine atoms for 18F-labeling. This dual utility as both a synthetic intermediate and potential imaging agent underscores the compound's growing importance in chemical biology and pharmaceutical research.
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