Cas no 1283720-61-5 (Tert-butyl 3-(hydroxymethyl)-3-(trifluoromethyl)pyrrolidine-1-carboxylate)

Tert-butyl 3-(hydroxymethyl)-3-(trifluoromethyl)pyrrolidine-1-carboxylate is a versatile pyrrolidine-based building block used in organic synthesis and pharmaceutical research. The compound features a hydroxymethyl and trifluoromethyl group at the 3-position, enhancing its utility as an intermediate for drug discovery and agrochemical applications. The tert-butyloxycarbonyl (Boc) protecting group ensures stability during synthetic transformations while allowing selective deprotection when needed. Its trifluoromethyl group contributes to improved metabolic stability and lipophilicity in derived compounds. This chiral scaffold is particularly valuable in the development of bioactive molecules, offering opportunities for structural diversification. The product is typically handled under standard laboratory conditions and requires storage in a cool, dry environment to maintain integrity.
Tert-butyl 3-(hydroxymethyl)-3-(trifluoromethyl)pyrrolidine-1-carboxylate structure
1283720-61-5 structure
Product Name:Tert-butyl 3-(hydroxymethyl)-3-(trifluoromethyl)pyrrolidine-1-carboxylate
CAS No:1283720-61-5
MF:C11H18F3NO3
MW:269.260734081268
MDL:MFCD11848050
CID:1226386
PubChem ID:53404017
Update Time:2025-11-02

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 >>

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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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