Cas no 1215071-23-0 (tert-butyl N-(3,3-difluorocyclopentyl)carbamate)

Tert-butyl N-(3,3-difluorocyclopentyl)carbamate is a fluorinated carbamate derivative with applications in pharmaceutical and agrochemical research. Its structure features a cyclopentyl ring with geminal difluorine substitution, enhancing metabolic stability and lipophilicity, which can improve bioavailability in drug development. The tert-butyloxycarbonyl (Boc) protecting group offers selective deprotection under mild acidic conditions, making it valuable in peptide synthesis and intermediate preparation. The compound’s rigid cyclopentyl backbone and fluorine substitution contribute to steric and electronic effects, useful in structure-activity relationship studies. It serves as a versatile building block for synthesizing bioactive molecules, particularly in medicinal chemistry where fluorinated motifs are sought after for their pharmacokinetic properties.
tert-butyl N-(3,3-difluorocyclopentyl)carbamate structure
1215071-23-0 structure
Product Name:tert-butyl N-(3,3-difluorocyclopentyl)carbamate
CAS No:1215071-23-0
MF:C10H17F2NO2
MW:221.244290113449
MDL:MFCD16657108
CID:1005524
PubChem ID:58293502
Update Time:2025-06-11

tert-butyl N-(3,3-difluorocyclopentyl)carbamate Chemical and Physical Properties

Names and Identifiers

    • tert-Butyl (3,3-difluorocyclopentyl)carbamate
    • 2-Methyl-2-propanyl (3,3-difluorocyclopentyl)carbamate
    • tert-butyl 3,3-difluorocyclopentylcarbamate
    • AK102234
    • ANW-62315
    • CTK8B9290
    • KB-260409
    • PB16624
    • PS-J-080
    • SureCN1965038
    • tert-butyl N-(3,3-difluorocyclopentyl)carbamate
    • 1-(Boc-amino)-3,3-difluorocyclopentane
    • A850204
    • SCHEMBL1951353
    • AMY26584
    • 1215071-23-0
    • CS-0318707
    • tert-Butyl(3,3-difluorocyclopentyl)carbamate
    • 2839014-28-5
    • tert-butyl 3,3-difluorocyclopentylcarbamate;N-Boc-3,3-difluorocyclopentanamine
    • Carbamic acid, N-(3,3-difluorocyclopentyl)-, 1,1-dimethylethyl ester
    • MFCD16657108
    • tert-butyl N-[(1S)-3,3-difluorocyclopentyl]carbamate
    • N-t-BOC-3,3-Difluorocyclopentylamine
    • N-t-BOC-3,3-Difluorocyclopentylamine, AldrichCPR
    • AKOS022182887
    • AS-30341
    • N-Boc-3,3-difluorocyclopentanamine
    • SY038556
    • MDL: MFCD16657108
    • Inchi: 1S/C10H17F2NO2/c1-9(2,3)15-8(14)13-7-4-5-10(11,12)6-7/h7H,4-6H2,1-3H3,(H,13,14)
    • InChI Key: SCXQXMBCRMLPGO-UHFFFAOYSA-N
    • SMILES: FC1(CCC(C1)NC(=O)OC(C)(C)C)F

Computed Properties

  • Exact Mass: 221.12273511g/mol
  • Monoisotopic Mass: 221.12273511g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 248
  • 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
  • XLogP3: 2.5
  • Topological Polar Surface Area: 38.3?2

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Additional information on tert-butyl N-(3,3-difluorocyclopentyl)carbamate

Comprehensive Overview of tert-butyl N-(3,3-difluorocyclopentyl)carbamate (CAS No. 1215071-23-0)

tert-butyl N-(3,3-difluorocyclopentyl)carbamate (CAS No. 1215071-23-0) is a specialized organic compound widely utilized in pharmaceutical and agrochemical research. Its unique structural features, including the difluorocyclopentyl moiety and tert-butyl carbamate group, make it a valuable intermediate in the synthesis of bioactive molecules. Researchers and industry professionals frequently search for this compound due to its relevance in drug discovery, particularly in the development of kinase inhibitors and protease modulators.

The growing interest in fluorinated compounds like tert-butyl N-(3,3-difluorocyclopentyl)carbamate stems from their enhanced metabolic stability and bioavailability. These properties are critical in modern medicinal chemistry, where improving drug efficacy and reducing side effects are top priorities. Searches for "fluorinated carbamates in drug design" or "CAS 1215071-23-0 applications" reflect the compound's significance in cutting-edge research. Additionally, its role in peptide synthesis and protecting group strategies has garnered attention from synthetic chemists.

From a synthetic perspective, tert-butyl N-(3,3-difluorocyclopentyl)carbamate is often employed as a building block for complex molecules. Its carbamate functionality provides a robust protective group for amines, while the difluorocyclopentyl ring introduces steric and electronic effects that influence molecular interactions. This dual functionality makes it a sought-after reagent in libraries targeting "small molecule therapeutics" and "fragment-based drug discovery."

Environmental and regulatory considerations also drive searches related to this compound. With increasing focus on green chemistry, researchers explore sustainable methods to synthesize tert-butyl N-(3,3-difluorocyclopentyl)carbamate. Queries like "eco-friendly synthesis of fluorinated carbamates" highlight the demand for processes that minimize waste and energy consumption. The compound's stability under various conditions further supports its use in scalable industrial applications.

In analytical chemistry, CAS 1215071-23-0 is characterized by techniques such as NMR spectroscopy, mass spectrometry, and HPLC. These methods ensure purity and validate structural integrity, which are essential for reproducible research outcomes. The compound's spectral data is often shared in open-access databases, addressing frequent queries like "tert-butyl carbamate NMR peaks" or "difluorocyclopentyl derivatives analysis."

Looking ahead, tert-butyl N-(3,3-difluorocyclopentyl)carbamate is poised to play a pivotal role in emerging fields such as bioconjugation and targeted drug delivery. Its compatibility with click chemistry and other bioorthogonal reactions aligns with trends in personalized medicine. As the scientific community continues to investigate its potential, this compound remains a cornerstone in both academic and industrial laboratories.

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