Morpholinosulfur trifluoride

Base Information

• Chemical Name: Morpholinosulfur trifluoride
• CAS No.: 51010-74-3
• Molecular Formula: C4H8F3NOS
• Molecular Weight: 175.175
• Hs Code.: 29349990
• European Community (EC) Number: 628-341-6
• DSSTox Substance ID: DTXSID10369812
• Nikkaji Number: J874.725C
• Wikidata: Q72493052
• Mol file: 51010-74-3.mol

Synonyms:Morpholinosulfur trifluoride;51010-74-3;Morpholinosulfurtrifluoride;Morph-DAST;Morpholinosulphur trifluoride;trifluoro(morpholin-4-yl)-lambda4-sulfane;4-Morpholinylsulfur Trifluoride;4-(trifluoro-lambda~4~-sulfanyl)morpholine;Morpho-DAST;MFCD00037057;Morpholinotrifluorosulfur(IV);SCHEMBL526119;AMY1265;DTXSID10369812;UFXIRMVZNARBDL-UHFFFAOYSA-N;BCP04263;BBL102273;STL556072;AKOS002662624;CS-W004258;4-(trifluoro-lambda4-sulfanyl)morpholine;4-(trifluoro-$l;{4}-sulfanyl)morpholine;MS-20415;trifluoro(4-morpholinyl)-$l^{4}-sulfane;4-(TRIFLUORO-??-SULFANYL)MORPHOLINE;FT-0694954;M1573;C90216;EN300-108124;tris(fluoranyl)-morpholin-4-yl-$l^{4}-sulfane;A828392

Chemical Property of Morpholinosulfur trifluoride

Chemical Property:

• Appearance/Colour: clear yellow to amber liquid
• Vapor Pressure: 0.155mmHg at 25°C
• Melting Point: 175 °C (decomp)
• Refractive Index: n20/D 1.454(lit.)
• Boiling Point: 216.2 °C at 760 mmHg
• PKA: -7.46±0.20(Predicted)
• Flash Point: 76.1 °C
• Density: 1.45 g/cm³
• Storage Temp.: 2-8°C
• Sensitive.: Moisture Sensitive
• Water Solubility.: Reacts with water.
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 175.02786954
• Heavy Atom Count: 10
• Complexity: 112

Purity/Quality:

99% ^*data from raw suppliers

Morpholinosulfur Trifluoride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C,E
• Statements: 14-34-5
• Safety Statements: 26-36/37/39-45-27-8

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCN1S(F)(F)F
• Uses: 4-Morpholinylsulfur trifluoride is incorporated in the fluoronation of trihexanols. It is used as a nucleophilic fluorinating agent with greater thermal stability. It is also used in the preparation of proline analogs and in the preparation of difluoropiperidines.

Technology Process of Morpholinosulfur trifluoride

There total 2 articles about Morpholinosulfur trifluoride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 60.0%

4,4'-dithiodimorpholine (103-34-4) → morpholinosulfur trifluoride (51010-74-3)

Guidance literature:

With potassium fluoride; chlorine; In acetonitrile; at 10 - 20 ℃; for 5.5h;

DOI:10.1081/SCC-120021841

Reference yield:

→ morpholinosulfur trifluoride (51010-74-3)

Guidance literature:

Schwefligsaeuredimorpholinodiamid, SF4;

Reference yield: 93.0%

morpholinosulfur trifluoride (51010-74-3) + 2-methylphenylboronic acid pinacol ester (195062-59-0) → 4-(2-tolylsulfinyl)morpholine

Guidance literature:

In dichloromethane; at 20 ℃; for 0.0833333h; Schlenk technique;

DOI:10.1002/anie.201605066

upstream raw materials:

4,4'-dithiodimorpholine

Downstream raw materials:

fluorocyclohexane

cyclohexene

1-(4-{[morpholin-4-yl(trifluoromethyl)-λ4-sulfanylidene]amino}phenyl)ethanone

4-methyl-N-[morpholin-4-yl(trifluoromethyl)-λ4-sulfanylidene]benzenesulfonamide

Refernces