Cas no 675112-67-1 (tert-Butyl 4,4-difluorocyclohexylcarbamate)

Tert-Butyl 4,4-difluorocyclohexylcarbamate is a fluorinated carbamate derivative with applications in pharmaceutical and agrochemical research. Its key structural features include a cyclohexyl ring with geminal difluorine substitutions at the 4-position, enhancing metabolic stability and lipophilicity. The tert-butoxycarbonyl (Boc) protecting group offers selective deprotection under mild acidic conditions, making it valuable in peptide synthesis and intermediate preparation. The difluorinated cyclohexyl moiety contributes to improved bioavailability and conformational rigidity, useful in drug design. This compound is typically employed as a building block for bioactive molecules, particularly in the development of enzyme inhibitors and receptor modulators. High purity grades ensure reproducibility in synthetic applications.
tert-Butyl 4,4-difluorocyclohexylcarbamate structure
675112-67-1 structure
Product Name:tert-Butyl 4,4-difluorocyclohexylcarbamate
CAS No:675112-67-1
MF:C11H19F2NO2
MW:235.270870447159
MDL:MFCD07781263
CID:966170
PubChem ID:22175003
Update Time:2025-05-20

tert-Butyl 4,4-difluorocyclohexylcarbamate Chemical and Physical Properties

Names and Identifiers

    • tert-Butyl 4,4-difluorocyclohexylcarbamate
    • N-Boc-4-amino-1,1-difluorocyclohexane
    • n-t-boc-4,4-difluorocyclohexylamine
    • tert-butyl N-(4,4-difluorocyclohexyl)carbamate
    • (4,4-Difluoro-cyclohexyl)-carbamic acid tert-butyl ester
    • 1-(Boc-amino)-4,4-difluorocyclohexane
    • 675112-67-1
    • tert-Butyl (4,4-difluorocyclohexyl)carbamate
    • (4,4-Difluoro-cyclohexyl)carbamic acid tert-butyl ester
    • SCHEMBL360739
    • AMY30141
    • C11H19F2NO2
    • N-t-BOC-4,4-Difluorocyclohexanamine
    • A915829
    • AB10740
    • EN300-329656
    • (4, 4-Difluoro-cyclohexyl)-carbamic acid tert-butyl ester
    • SY038536
    • DTXSID70623245
    • n-(4,4-difluorocyclohexyl)(t-butoxy)carboxamide
    • MFCD07781263
    • DS-15774
    • AKOS016002118
    • tert-butyl 4,4-difluorocyclo-hexylcarbamate
    • 1,1-Dimethylethyl (4,4-difluorocyclohexyl)carbamate
    • DB-353033
    • MDL: MFCD07781263
    • Inchi: 1S/C11H19F2NO2/c1-10(2,3)16-9(15)14-8-4-6-11(12,13)7-5-8/h8H,4-7H2,1-3H3,(H,14,15)
    • InChI Key: OWELBZTXHNMEKC-UHFFFAOYSA-N
    • SMILES: FC1(CCC(CC1)NC(=O)OC(C)(C)C)F

Computed Properties

  • Exact Mass: 235.13800
  • Monoisotopic Mass: 235.13838517g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 251
  • 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: 2.9
  • Topological Polar Surface Area: 38.3?2

Experimental Properties

  • Boiling Point: 293.2±40.0℃ at 760 mmHg
  • PSA: 38.33000
  • LogP: 3.47990

tert-Butyl 4,4-difluorocyclohexylcarbamate Customs Data

  • HS CODE:2924299090
  • Customs Data:

    China Customs Code:

    2924299090

    Overview:

    2924299090. Other cyclic amides(Including cyclic carbamates)(Including their derivatives as well as their salts). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, packing

    Summary:

    2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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tert-Butyl 4,4-difluorocyclohexylcarbamate Production Method

Additional information on tert-Butyl 4,4-difluorocyclohexylcarbamate

Comprehensive Overview of tert-Butyl 4,4-difluorocyclohexylcarbamate (CAS No. 675112-67-1)

tert-Butyl 4,4-difluorocyclohexylcarbamate (CAS No. 675112-67-1) is a fluorinated carbamate derivative that has garnered significant attention in pharmaceutical and agrochemical research. This compound, characterized by its tert-butyl and difluorocyclohexyl moieties, is widely utilized as a key intermediate in the synthesis of bioactive molecules. Its unique structural features, including the 4,4-difluorocyclohexyl ring, contribute to enhanced metabolic stability and lipophilicity, making it a valuable building block in drug discovery.

In recent years, the demand for fluorinated compounds like tert-Butyl 4,4-difluorocyclohexylcarbamate has surged due to their applications in developing targeted therapies and precision agriculture. Researchers are particularly interested in its role as a protease inhibitor precursor or kinase modulator, aligning with the growing focus on personalized medicine. The compound's carbamate group also offers versatility in prodrug design, a hot topic in AI-driven drug development.

The synthesis of CAS 675112-67-1 typically involves multi-step organic reactions, including Boc protection and fluorination strategies. Analytical techniques such as HPLC, NMR, and mass spectrometry are employed to ensure high purity, addressing the pharmaceutical industry's stringent quality control requirements. This aligns with current GMP compliance trends and the search for reliable chemical suppliers in online queries.

From an environmental perspective, the difluorocyclohexyl structure demonstrates improved biodegradability compared to perfluorinated compounds, responding to increasing concerns about PFAS alternatives. This positions tert-Butyl 4,4-difluorocyclohexylcarbamate as a more sustainable option in green chemistry applications, a frequently searched topic in academic databases and industry forums.

In material science, the compound's thermal stability (often analyzed via DSC) makes it suitable for high-performance polymers. Its crystallinity properties are being explored for electronic materials, coinciding with rising interest in organic semiconductors—a trending search term in scientific literature and patent analyses.

Regulatory databases show that 675112-67-1 is compliant with major REACH and FDA guidelines for research use, though proper risk assessment protocols must be followed. This addresses common queries about chemical safety data sheets and lab handling procedures in search engines. The compound's storage conditions (typically 2-8°C under inert atmosphere) are frequently documented in technical bulletins.

Market analyses indicate growing procurement of tert-Butyl 4,4-difluorocyclohexylcarbamate by CROs and CDMOs, reflecting the expansion of contract research services. This correlates with search trends for custom synthesis and scale-up solutions in the pharmaceutical outsourcing sector. The compound's price fluctuations are often monitored through chemical market intelligence platforms.

Recent patent landscaping reveals applications of this intermediate in cancer immunotherapy and neurodegenerative disease research, areas dominating biomedical publications. Its structure-activity relationships (SAR) are frequently modeled using computational chemistry tools, matching the surge in AI-assisted molecular design searches.

For analytical purposes, the compound's chromatographic behavior (typically reversed-phase C18 columns) and fragmentation patterns in LC-MS are well-documented, addressing common laboratory technique queries. Its UV absorption characteristics facilitate detection in high-throughput screening systems.

In conclusion, tert-Butyl 4,4-difluorocyclohexylcarbamate (CAS 675112-67-1) represents a multifaceted compound bridging medicinal chemistry, materials science, and sustainable technology. Its evolving applications continue to inspire cross-disciplinary research, making it a persistent subject in scientific queries and industrial innovation discussions.

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