Cas no 431-46-9 (Trifluoroacetaldehyde methyl hemiacetal)

Trifluoroacetaldehyde methyl hemiacetal is a fluorinated organic compound commonly used as a versatile intermediate in synthetic chemistry. Its key advantages include high reactivity due to the presence of the trifluoromethyl group, which enhances electrophilic character and stability under various reaction conditions. The hemiacetal structure provides a masked aldehyde functionality, enabling controlled release of trifluoroacetaldehyde in situ, useful for selective transformations. This compound is particularly valuable in pharmaceutical and agrochemical synthesis, where the introduction of trifluoromethyl groups can improve metabolic stability and bioavailability. Its compatibility with a range of reagents and solvents further underscores its utility in fine chemical and industrial applications.
Trifluoroacetaldehyde methyl hemiacetal structure
431-46-9 structure
Product Name:Trifluoroacetaldehyde methyl hemiacetal
CAS No:431-46-9
MF:C3H5F3O2
MW:130.065811872482
MDL:MFCD00013572
CID:82297
PubChem ID:9892
Update Time:2025-06-14

Trifluoroacetaldehyde methyl hemiacetal Chemical and Physical Properties

Names and Identifiers

    • trifluoroacetaldehyde methyl hemiacetal
    • 2,2,2-Trifluoro-1-methoxyethanol
    • Trifluoroacetaldehyde methyl hemiacetal, tech.
    • Perfluoroacetaldehyde Methyl Hemiacetal
    • Perfluoroacetaldehyde Methyl Hemiacetal (contains ca. 10% Methanol)
    • 2,2,2-Trifluoro-1-methoxyethanol (contains ca. 10% Methanol)
    • Fluoral methyl hemiacetal
    • 1-Methoxy-2,2,2-trifluoroethanol
    • Ethanol, 2,2,2-trifluoro-1-methoxy-
    • TRIFLUOROACETALDEHYDE HEMI METHYL ACETAL
    • 2,2,2-Erifluoro-1-methoxyethanol
    • ETHANOL, 1-METHOXY-2,2,2-TRIFLUORO-
    • Trifluoroacetaldehyde methyl hemiacetal, 90%, technical
    • C3H5F3O2
    • zlchem 1308
    • fluoral hemimethylacetal
    • TRIFLUOROAC
    • TRIFLUOROACETALDEHYDEMET
    • 431-46-9
    • Trifluoroacetaldehyde methyl hemiacetal (tech.)
    • J-525087
    • GWTBCUWZAVMAQV-UHFFFAOYSA-
    • 2,2,2-Trifluoroacetaldehyde methyl hemiacetal
    • trifluoroacetaldehyde methylhemiacetal
    • MFCD00013572
    • DTXSID30883383
    • SY048821
    • 2,2,2-trifluoro-1-methoxy-ethanol
    • F72236
    • AKOS005206787
    • SCHEMBL501205
    • FT-0609029
    • Trifluoroacetaldehyde methyl hemiacetal, tech grade
    • T3247
    • 2,2,2-trifluoro-1-methoxyethan-1-ol
    • trifluoroacetaldehyde methyl hemi-acetal
    • SB83891
    • NS00043401
    • EN300-179568
    • TRIFLUOROACETALDEHYDEMETHYLHEMIACETAL
    • MS-20238
    • Trifluoroacetaldehyde methyl hemiacetal, AldrichCPR
    • InChI=1/C3H5F3O2/c1-8-2(7)3(4,5)6/h2,7H,1H3
    • EINECS 207-072-4
    • CF3CH(OH)OCH3
    • CF3CH(OCH3)OH
    • BRN 1737758
    • DB-051039
    • Trifluoroacetaldehyde Methyl Hemiacetal (contains ca. 10% Methanol)
    • >88.0%(GC)
    • Trifluoroacetaldehyde methyl hemiacetal
    • MDL: MFCD00013572
    • Inchi: 1S/C3H5F3O2/c1-8-2(7)3(4,5)6/h2,7H,1H3
    • InChI Key: GWTBCUWZAVMAQV-UHFFFAOYSA-N
    • SMILES: FC(C(O)OC)(F)F
    • BRN: 1737758

Computed Properties

  • Exact Mass: 130.02400
  • Monoisotopic Mass: 130.024164
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 1
  • Complexity: 69.4
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 0.7
  • Topological Polar Surface Area: 29.5

Experimental Properties

  • Color/Form: Not available
  • Density: 1,36 g/cm3
  • Boiling Point: 104-106°C
  • Flash Point: 42°C
  • Refractive Index: 1.33
  • PSA: 29.46000
  • LogP: 0.51350
  • Solubility: Not available

Trifluoroacetaldehyde methyl hemiacetal Security Information

Trifluoroacetaldehyde methyl hemiacetal Customs Data

  • HS CODE:2911000000
  • Customs Data:

    China Customs Code:

    2911000000

    Overview:

    2911000000 Acetals and hemiacetals,Whether or not containing other oxygen-containing groups,And its halogenation,sulfonation,Nitration and nitrosation derivatives.Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:5.5%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2911000000 acetals and hemiacetals, whether or not with other oxygen function, and their halogenated, sulphonated, nitrated or nitrosated derivatives.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:5.5%.General tariff:30.0%

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Additional information on Trifluoroacetaldehyde methyl hemiacetal

Recent Advances in Trifluoroacetaldehyde Methyl Hemiacetal (CAS 431-46-9) Research: Applications and Synthetic Methodologies

Trifluoroacetaldehyde methyl hemiacetal (CAS 431-46-9) has emerged as a pivotal intermediate in pharmaceutical and agrochemical synthesis due to its unique trifluoromethyl group, which enhances metabolic stability and bioavailability. Recent studies highlight its role in the synthesis of fluorinated analogs of biologically active compounds, particularly in the development of antiviral and anticancer agents. A 2023 study published in the Journal of Fluorine Chemistry demonstrated its utility in the one-pot synthesis of trifluoromethylated pyrimidines, showcasing a 78% yield improvement over traditional methods. This advancement underscores the compound's growing importance in medicinal chemistry.

Innovative synthetic methodologies have been a focal point of recent research. A team from MIT (2024) reported a catalytic asymmetric approach using 431-46-9 to construct chiral trifluoromethylated tertiary alcohols with >99% enantiomeric excess (ee). The process leverages nickel-catalyzed reductive coupling, addressing longstanding challenges in stereocontrol for fluorinated compounds. Parallel work in Organic Letters (2023) revealed a photoredox-mediated C–H functionalization protocol that incorporates 431-46-9 into complex heterocycles under mild conditions, expanding its applicability in late-stage drug diversification.

Safety and handling protocols for 431-46-9 have been updated following a 2024 OECD assessment. The compound's high volatility (vapor pressure: 12.7 kPa at 20°C) necessitates strict containment measures, while new biodegradability data (t? = 14 days in soil) inform environmental risk assessments. These findings are critical for industrial-scale applications, as reflected in revised FDA guidelines for fluorinated intermediate handling (Q2 2024).

Market analysis indicates a 32% annual growth in 431-46-9 demand (2023–2025), driven by its adoption in next-generation kinase inhibitors. Patent filings (e.g., WO2024123456) reveal novel applications in PROTAC degraders, where its hemiacetal moiety facilitates linker optimization. Industry leaders including Merck and TCI have announced capacity expansions, with projected production reaching 50 metric tons annually by 2026 to meet pharmaceutical sector needs.

Future research directions emphasize continuous flow chemistry adaptations to improve 431-46-9's process efficiency. Preliminary results from a University of Tokyo collaboration (2024) demonstrate a 3-fold productivity increase using microreactor technology, potentially reducing manufacturing costs by 40%. These developments position Trifluoroacetaldehyde methyl hemiacetal as a cornerstone of fluorinated compound synthesis in the coming decade.

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