Cas no 104863-67-4 (2,2,2-Trifluoro-N-methoxy-N-methylacetamide)

2,2,2-Trifluoro-N-methoxy-N-methylacetamide is a fluorinated acetamide derivative with the molecular formula C?H?F?NO?. This compound is characterized by its trifluoroacetyl group and methoxy-methylamine substituent, which impart unique reactivity and stability. It serves as a versatile reagent in organic synthesis, particularly in the introduction of trifluoroacetyl groups or as a building block for pharmaceuticals and agrochemicals. The presence of both electron-withdrawing (trifluoromethyl) and electron-donating (methoxy) moieties enhances its utility in selective transformations. Its high purity and consistent performance make it suitable for demanding applications in medicinal chemistry and material science. Proper handling under inert conditions is recommended due to its sensitivity to moisture.
2,2,2-Trifluoro-N-methoxy-N-methylacetamide structure
104863-67-4 structure
Product Name:2,2,2-Trifluoro-N-methoxy-N-methylacetamide
CAS No:104863-67-4
MF:C4H6F3NO2
MW:157.091151714325
MDL:MFCD00077565
CID:135417
PubChem ID:2782382
Update Time:2025-06-27

2,2,2-Trifluoro-N-methoxy-N-methylacetamide Chemical and Physical Properties

Names and Identifiers

    • 2,2,2-Trifluoro-N-methoxy-N-methylacetamide
    • N-Methoxy-N-methyl-2,2,2-trifluoroacetamide
    • Acetamide,2,2,2-trifluoro-N-methoxy-N-methyl-
    • N-Methoxy-N-methyltrifluoroacetamide
    • 2,2,2-Trifluoro-N-Methoxy-N-Methyl-Acetamide
    • N-methyl-N-methoxytrifluoroacetamide
    • 4-Methoxy-3-methylthiophenol
    • N-Methoxy-N-(trifluoroacetyl)methylamine;N-Methoxy-N-methyl-2,2,2-trifluoroacetamide
    • BCP21704
    • CS-W017980
    • T3326
    • W-200729
    • n-methoxy-n-methyltrifluoracetamide
    • DTXSID00382055
    • N-methoxy-N-methyl trifluoroacetamide
    • A801078
    • CS-11208
    • N-methoxy-N-methyl trifluoro acetamide
    • SB76038
    • AKOS009159435
    • F14801
    • N-Methoxy-N-methyl-2,2,2-trifluoroacetamide, 98%
    • AM680
    • F1903-0352
    • 2,2,2-tris(fluoranyl)-N-methoxy-N-methyl-ethanamide
    • FT-0676841
    • 104863-67-4
    • Acetamide, 2,2,2-trifluoro-N-methoxy-N-methyl-
    • EN300-1251156
    • SCHEMBL1161728
    • MFCD00077565
    • DB-059210
    • DTXCID80333080
    • MDL: MFCD00077565
    • Inchi: 1S/C4H6F3NO2/c1-8(10-2)3(9)4(5,6)7/h1-2H3
    • InChI Key: JDBJZZTZYKUFFK-UHFFFAOYSA-N
    • SMILES: FC(C(N(C)OC)=O)(F)F

Computed Properties

  • Exact Mass: 157.03500
  • Monoisotopic Mass: 157.035
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 3
  • Complexity: 133
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 0.9
  • Topological Polar Surface Area: 29.5A^2

Experimental Properties

  • Color/Form: liquid
  • Density: 1.299?g/mL?at 25?°C(lit.)
  • Melting Point: No data available
  • Boiling Point: 52°C/30mmHg(lit.)
  • Flash Point: Fahrenheit: 116.6 ° f < br / > Celsius: 47 ° C < br / >
  • Refractive Index: 1.3630 to 1.3670
  • Solubility: Slightly soluble (24 g/l) (25 o C),
  • PSA: 29.54000
  • LogP: 0.56850
  • Solubility: Not determined

2,2,2-Trifluoro-N-methoxy-N-methylacetamide Security Information

  • Symbol: GHS02 GHS06
  • Prompt:warning
  • Signal Word:Danger
  • Hazard Statement: H226,H301,H319
  • Warning Statement: P301+P310,P305+P351+P338
  • Hazardous Material transportation number:UN 1992 3/PG 3
  • WGK Germany:3
  • Hazard Category Code: 10-25-36
  • Safety Instruction: S16-S26-S45
  • Hazardous Material Identification: T
  • HazardClass:IRRITANT
  • PackingGroup:III
  • Risk Phrases:R10
  • Safety Term:16-26-45
  • Storage Condition:Store at 4°C,-4At ℃Store…Better

2,2,2-Trifluoro-N-methoxy-N-methylacetamide Customs Data

  • HS CODE:2924199090
  • Customs Data:

    China Customs Code:

    2924199090

    Overview:

    2924199090. Other acyclic amides(Including acyclic carbamates)(Including its derivatives and 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:

    2924199090. other acyclic amides (including acyclic 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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2,2,2-Trifluoro-N-methoxy-N-methylacetamide Production Method

Additional information on 2,2,2-Trifluoro-N-methoxy-N-methylacetamide

Recent Advances in the Application of 2,2,2-Trifluoro-N-methoxy-N-methylacetamide (CAS: 104863-67-4) in Chemical Biology and Pharmaceutical Research

2,2,2-Trifluoro-N-methoxy-N-methylacetamide (CAS: 104863-67-4) is a fluorinated acetamide derivative that has garnered significant attention in recent years due to its versatile applications in chemical biology and pharmaceutical research. This compound serves as a key intermediate in the synthesis of various bioactive molecules, including peptides, heterocycles, and fluorinated pharmaceuticals. Its unique trifluoromethyl group enhances metabolic stability and bioavailability, making it a valuable building block in drug discovery and development.

Recent studies have highlighted the role of 2,2,2-Trifluoro-N-methoxy-N-methylacetamide in facilitating efficient amide bond formation, a critical step in peptide synthesis. Researchers have demonstrated its utility in solid-phase peptide synthesis (SPPS), where it acts as a coupling reagent to improve yield and reduce racemization. Additionally, its compatibility with a wide range of protecting groups and solvents has made it a preferred choice for the synthesis of complex peptide architectures.

In the realm of medicinal chemistry, 2,2,2-Trifluoro-N-methoxy-N-methylacetamide has been employed in the design of novel protease inhibitors and kinase modulators. A 2023 study published in the Journal of Medicinal Chemistry reported the successful incorporation of this compound into a series of covalent inhibitors targeting SARS-CoV-2 main protease (Mpro). The resulting inhibitors exhibited enhanced binding affinity and selectivity, underscoring the potential of 104863-67-4 in antiviral drug development.

Beyond its applications in peptide and drug synthesis, 2,2,2-Trifluoro-N-methoxy-N-methylacetamide has also been explored as a fluorinating agent in organic transformations. Its ability to introduce trifluoromethyl groups into heterocyclic scaffolds has opened new avenues for the development of fluorinated pharmaceuticals, which often exhibit improved pharmacokinetic properties. Recent work published in Organic Letters demonstrated its efficacy in the trifluoromethylation of indoles and pyrroles, yielding compounds with potential anticancer activity.

Despite its promising applications, challenges remain in the large-scale production and handling of 2,2,2-Trifluoro-N-methoxy-N-methylacetamide. Researchers are actively investigating greener synthetic routes and safer handling protocols to address these issues. A 2024 study in Green Chemistry proposed a solvent-free mechanochemical synthesis of this compound, which not only improved yield but also reduced environmental impact.

In conclusion, 2,2,2-Trifluoro-N-methoxy-N-methylacetamide (CAS: 104863-67-4) continues to be a valuable tool in chemical biology and pharmaceutical research. Its versatility in synthesis, coupled with its ability to enhance the properties of bioactive molecules, positions it as a critical component in the development of next-generation therapeutics. Ongoing research aims to further expand its applications and optimize its synthesis, paving the way for innovative discoveries in the field.

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