Cas no 1283720-61-5 (Tert-butyl 3-(hydroxymethyl)-3-(trifluoromethyl)pyrrolidine-1-carboxylate)
Tert-butyl 3-(hydroxymethyl)-3-(trifluoromethyl)pyrrolidine-1-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- Tert-butyl 3-(hydroxymethyl)-3-(trifluoromethyl)pyrrolidine-1-carboxylate
- Z1350606151
- SCHEMBL24809836
- tert-butyl3-(hydroxymethyl)-3-(trifluoromethyl)pyrrolidine-1-carboxylate
- CS-0307948
- EN300-102059
- 1-Pyrrolidinecarboxylic acid, 3-(hydroxymethyl)-3-(trifluoromethyl)-, 1,1-dimethylethyl ester
- AS-74510
- AKOS026726237
- 1283720-61-5
- DTXSID10695305
- 1-BOC-3-(HYDROXYMETHYL)-3-(TRIFLUOROMETHYL)PYRROLIDINE
- MFCD11848050
-
- MDL: MFCD11848050
- Inchi: 1S/C11H18F3NO3/c1-9(2,3)18-8(17)15-5-4-10(6-15,7-16)11(12,13)14/h16H,4-7H2,1-3H3
- InChI Key: SDHBRGFJKCOGRS-UHFFFAOYSA-N
- SMILES: FC(C1(CO)CN(C(=O)OC(C)(C)C)CC1)(F)F
Computed Properties
- Exact Mass: 269.124
- Monoisotopic Mass: 269.124
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 5
- Complexity: 325
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 49.8A^2
- XLogP3: 1.8
Experimental Properties
- PSA: 49.77000
- LogP: 2.10610
Tert-butyl 3-(hydroxymethyl)-3-(trifluoromethyl)pyrrolidine-1-carboxylate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| abcr | AB448912-1 g |
1-Boc-3-(hydroxymethyl)-3-(trifluoromethyl)pyrrolidine |
1283720-61-5 | 1g |
€856.00 | 2022-03-02 | ||
| Chemenu | CM476499-1g |
1-Pyrrolidinecarboxylic acid, 3-(hydroxymethyl)-3-(trifluoromethyl)-, 1,1-dimethylethyl ester |
1283720-61-5 | 95%+ | 1g |
$855 | 2023-01-02 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | B941928-100mg |
tert-Butyl 3-(hydroxymethyl)-3-(trifluoromethyl)pyrrolidine-1-carboxylate |
1283720-61-5 | 95% | 100mg |
¥1,673.10 | 2022-09-02 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | B941928-250mg |
tert-Butyl 3-(hydroxymethyl)-3-(trifluoromethyl)pyrrolidine-1-carboxylate |
1283720-61-5 | 95% | 250mg |
¥2,889.90 | 2022-09-02 | |
| eNovation Chemicals LLC | D746006-100mg |
1-Pyrrolidinecarboxylic acid, 3-(hydroxymethyl)-3-(trifluoromethyl)-, 1,1-dimethylethyl ester |
1283720-61-5 | 95% | 100mg |
$310 | 2024-06-08 | |
| eNovation Chemicals LLC | D746006-250mg |
1-Pyrrolidinecarboxylic acid, 3-(hydroxymethyl)-3-(trifluoromethyl)-, 1,1-dimethylethyl ester |
1283720-61-5 | 95% | 250mg |
$515 | 2024-06-08 | |
| eNovation Chemicals LLC | D746006-1g |
1-Pyrrolidinecarboxylic acid, 3-(hydroxymethyl)-3-(trifluoromethyl)-, 1,1-dimethylethyl ester |
1283720-61-5 | 95% | 1g |
$1030 | 2024-06-08 | |
| Alichem | A109009456-250mg |
1-Boc-3-(hydroxymethyl)-3-(trifluoromethyl)pyrrolidine |
1283720-61-5 | 95% | 250mg |
428.48 USD | 2021-06-01 | |
| Alichem | A109009456-1g |
1-Boc-3-(hydroxymethyl)-3-(trifluoromethyl)pyrrolidine |
1283720-61-5 | 95% | 1g |
1,092.00 USD | 2021-06-01 | |
| TRC | B702633-10mg |
tert-butyl 3-(hydroxymethyl)-3-(trifluoromethyl)pyrrolidine-1-carboxylate |
1283720-61-5 | 10mg |
$ 70.00 | 2022-06-06 |
Tert-butyl 3-(hydroxymethyl)-3-(trifluoromethyl)pyrrolidine-1-carboxylate Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
Additional information on Tert-butyl 3-(hydroxymethyl)-3-(trifluoromethyl)pyrrolidine-1-carboxylate
Comprehensive Guide to Tert-butyl 3-(hydroxymethyl)-3-(trifluoromethyl)pyrrolidine-1-carboxylate (CAS No. 1283720-61-5)
Tert-butyl 3-(hydroxymethyl)-3-(trifluoromethyl)pyrrolidine-1-carboxylate (CAS No. 1283720-61-5) is a highly versatile chemical intermediate widely used in pharmaceutical and agrochemical research. This compound belongs to the class of pyrrolidine derivatives, which are known for their significant role in drug discovery and development. The presence of both hydroxymethyl and trifluoromethyl groups in its structure makes it a valuable building block for synthesizing more complex molecules.
One of the key reasons for the growing interest in Tert-butyl 3-(hydroxymethyl)-3-(trifluoromethyl)pyrrolidine-1-carboxylate is its application in the development of small-molecule therapeutics. Researchers are increasingly focusing on fluorinated compounds due to their enhanced metabolic stability and bioavailability. The trifluoromethyl group in this compound is particularly noteworthy, as it can significantly improve the pharmacological properties of the final drug candidates.
In recent years, the demand for Tert-butyl 3-(hydroxymethyl)-3-(trifluoromethyl)pyrrolidine-1-carboxylate has surged, driven by its utility in medicinal chemistry. The compound is often employed in the synthesis of protease inhibitors and kinase inhibitors, which are critical in treating diseases like cancer and viral infections. Its hydroxymethyl group also allows for further functionalization, making it a preferred choice for structure-activity relationship (SAR) studies.
From a market perspective, the global demand for pyrrolidine-based intermediates like Tert-butyl 3-(hydroxymethyl)-3-(trifluoromethyl)pyrrolidine-1-carboxylate is expected to grow steadily. The pharmaceutical industry's shift toward targeted therapies and personalized medicine has further amplified the need for high-quality chemical building blocks. Companies specializing in custom synthesis and contract research are actively sourcing this compound to meet the evolving needs of drug developers.
Another area where Tert-butyl 3-(hydroxymethyl)-3-(trifluoromethyl)pyrrolidine-1-carboxylate finds application is in agrochemical research. The trifluoromethyl group is known to enhance the bioactivity of pesticides and herbicides, making this compound a valuable asset in the development of next-generation crop protection agents. With the increasing focus on sustainable agriculture, the role of such advanced intermediates cannot be overstated.
For researchers and manufacturers, understanding the synthetic pathways and purification methods for Tert-butyl 3-(hydroxymethyl)-3-(trifluoromethyl)pyrrolidine-1-carboxylate is crucial. The compound is typically synthesized via multi-step organic reactions, including protection-deprotection strategies and catalytic transformations. Ensuring high purity and yield is essential to meet the stringent requirements of pharmaceutical-grade materials.
In conclusion, Tert-butyl 3-(hydroxymethyl)-3-(trifluoromethyl)pyrrolidine-1-carboxylate (CAS No. 1283720-61-5) is a pivotal compound in modern chemical research and drug development. Its unique structural features and broad applicability make it a sought-after intermediate in both pharmaceutical and agrochemical industries. As the scientific community continues to explore new therapeutic and agricultural solutions, the importance of such specialized chemical intermediates will only grow.
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