Description

Bis(2-methoxyethyl)aminosulphur trifluoride, 50% solution in THF (CAS No. 202289-38-1) is a highly specialized fluorinating reagent widely used in organic synthesis. With the molecular formula C₆H₁₄F₃NO₂S and IUPAC name 2-methoxy-N-(2-methoxyethyl)-N-(trifluoro-lambda4-sulfanyl)ethanamine, this compound is supplied as a 50% solution in tetrahydrofuran (THF) for enhanced stability and handling. Known commercially as Deoxo-Fluor, it serves as a versatile alternative to hazardous reagents like DAST (Diethylaminosulfur trifluoride), offering superior selectivity and milder reaction conditions. Ideal for converting alcohols to fluorides, aldehydes/ketones to gem-difluorides, and carboxylic acids to acyl fluorides, this reagent is a staple in pharmaceutical, agrochemical, and materials science research. Packaged under inert atmosphere to ensure purity, it is suitable for use in sensitive transformations requiring anhydrous conditions.

Properties

• CAS Number: 202289-38-1
• Complexity: 126
• IUPAC Name: 2-methoxy-N-(2-methoxyethyl)-N-(trifluoro-lambda4-sulfanyl)ethanamine
• InChI: InChI=1S/C6H14F3NO2S/c1-11-5-3-10(4-6-12-2)13(7,8)9/h3-6H2,1-2H3
• InChI Key: APOYTRAZFJURPB-UHFFFAOYSA-N
• Exact Mass: 221.06973435
• Molecular Formula: C6H14F3NO2S
• Molecular Weight: 221.24
• SMILES: COCCN(CCOC)S(F)(F)F
• Topological: 22.7
• Monoisotopic Mass: 221.06973435
• Synonyms: 202289-38-1, Bis(2-methoxyethyl)aminosulfur trifluoride, Deoxo-Fluor, Deoxy-fluor, DEOXO-FLUOR [MI], A6219390VZ, DTXSID5074898, Sulfur, trifluoro[2-methoxy-N-(2-methoxyethyl)ethanaminato-.kappa.N]-, (T-4)-, Sulfur, trifluoro(2-methoxy-N-(2-methoxyethyl)ethanaminato-kappaN)-, (T-4)-, Bis(2-methoxyethyl)aminosulphur trifluoride, 50% solution in THF, (T-4)-TRIFLUORO(2-METHOXY-N-(2-METHOXYETHYL)ETHANAMINATO-.KAPPA.N)SULFUR, SULFUR, TRIFLUORO(2-METHOXY-N-(2-METHOXYETHYL)ETHANAMINATO-.KAPPA.N)-, (T-4)-, Sulfur, trifluoro[2-methoxy-N-(2-methoxyethyl)ethanaminato-kappaN]-, (T-4)-, DTXCID9036224, (T-4)-TRIFLUORO(2-METHOXY-N-(2-METHOXYETHYL)ETHANAMINATO-KAPPAN)SULFUR, 478-190-3, 630-397-1, BAST, Bis(2-methoxyethyl)aminosulphurtrifluoride, [Bis(2-methoxyethyl)amino]sulfur trifluoride, 2-methoxy-N-(2-methoxyethyl)-N-(trifluoro-lambda4-sulfanyl)ethanamine, (bis(2-methoxyethyl)amino)sulfur trifluoride, bis(2-methoxyethyl)(trifluoro-lambda4-sulfanyl)amine, Deoxo-Fluor(R), (bis-(2-methoxyethyl)amino)sulfur trifluoride, [bis-(2-methoxyethyl)amino]sulfur trifluoride, C6H14F3NO2S, Deoxo-flour, UNII-A6219390VZ, MFCD01321415, bis(2-methyoxyethyl)aminosulfur trifluoride, Bis-(2-methoxyethyl)aminosulfur trifluoride, SCHEMBL1370, BIS(2-METHOXYETHYL)AMINOSULPHUR TRIFLUORIDE, bis(2-methoxyethyl)(trifluoro-, 1,1,1-trifluoro-N,N-bis(2-methoxyethyl)-l4-sulfanamine, BCP34620, FD2007, SBB096131, AKOS005063341, AB09062, AT42021, bis(methoxyethyl)aminosulfur trifluoride, CS-W004257, FS-3808, GS-3629, bis-(2-methoxyethy)aminosulfur trifluoride, bis(2-methoxyethyl) aminosulfur trifluoride, Bis(2-methoxyethyl)amino sulfur trifluoride, bis(2-methoxyethyl)amino-sulfur trifluoride, bis(2-methoxyethyl)amino-sulfur-trifluoride, bis-(2-methoxyethy) aminosulfur trifluoride, DB-001338, [bis(2-methoxyethyl)amino]sulfur triflouride, B2440, B6231, (bis(2-methoxyethyl)amino)sulfur tri fluoride, [Bis(2-methoxyethyl)-amino]sulfur trifluoride, bis-(2-Methoxyethyl)amino sulphur trifluoride, EN300-204918, P16637, bis(2-methoxyethyl)(trifluoro-|E-sulfanyl)amine, A814349, bis(2-methoxyethyl)(trifluoro-|E?-sulfanyl)amine, bis(2-methoxyethyl)(trifluoro-lambda-sulfanyl)amine, Q27273674, 2-methoxy-N-(2-methoxyethyl)-N-(trifluoro-sulfanyl)ethanamine, Bis(2-methoxyethyl)aminosulfur trifluoride, 50 wt. % in THF, 2-methoxy-N-(2-methoxyethyl)-N-(trifluoro-lambda(4)-sulfanyl)ethanamine, Bis(2-methoxyethyl)aminosulfur Trifluoride (ca. 50% in Tetrahydrofuran), Deoxo-Fluor;2-Methoxy-N-(2-methoxyethyl)-N-(trifluorothio)-ethanamine

Application

Bis(2-methoxyethyl)aminosulphur trifluoride (Deoxo-Fluor) is primarily employed as a fluorinating agent in organic synthesis, enabling efficient conversion of hydroxyl groups to fluorides with high stereochemical retention. It is particularly valuable for synthesizing fluorinated intermediates in drug discovery, such as protease inhibitors and PET imaging probes. The reagent also facilitates the transformation of carbonyl compounds to gem-difluoromethylene units, a critical step in the development of bioactive molecules. Its compatibility with THF as a solvent ensures ease of use in a wide range of reaction setups.

Safety and Hazards

GHS Hazard Statements

• H201 (33.8%): Explosive; mass explosion hazard [Danger Explosives]
• H261 (63.1%): In contact with water releases flammable gas [Danger Substances and mixtures which in contact with water, emit flammable gases]
• H300 (33.8%): Fatal if swallowed [Danger Acute toxicity, oral]
• H301 (64.6%): Toxic if swallowed [Danger Acute toxicity, oral]
• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H331 (63.1%): Toxic if inhaled [Danger Acute toxicity, inhalation]

Precautionary Statements

• P210, P230, P231+P232, P240, P250, P260, P261, P264, P270, P271, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P370+P378, P370+P380, P372, P373, P401, P402+P404, P403+P233, P405, and P501

Hazard Classes and Categories

• Water-react. 2 (50%)
• Acute Tox. 2 (50%)
• Acute Tox. 3 (50%)
• Skin Corr. 1A (100%)
• Eye Dam. 1 (100%)
• Acute Tox. 3 (50%)

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