Dimethylaminosulfur trifluoride

Base Information

• Chemical Name: Dimethylaminosulfur trifluoride
• CAS No.: 3880-03-3
• Molecular Formula: C2H6 F3 N S
• Molecular Weight: 133.138
• Hs Code.: 29309099
• European Community (EC) Number: 627-719-8
• DSSTox Substance ID: DTXSID30192068
• Nikkaji Number: J657.486F
• Wikidata: Q83064674
• Mol file: 3880-03-3.mol

Synonyms:Dimethylaminosulfur trifluoride;3880-03-3;Methyl DAST;(Dimethylamino)sulfur trifluoride;N-methyl-N-(trifluoro-lambda4-sulfanyl)methanamine;Sulfur, trifluoro(N-methylmethanaminato)-;dimethylaminosulfurtrifluoride;SCHEMBL64578;Dimethylamino sulfur trifluoride;DTXSID30192068;(dimethylamino)-sulfur trifluoride;SAVQQRYWWAGSQW-UHFFFAOYSA-N;(Dimethylamino)trifluorosulfur(IV);(N,N-Dimethylamino)sulfur trifluoride;Trifluoro(N-methylmethanaminato)sulfur;AKOS015894993;AS-37975;FT-0625123

Chemical Property of Dimethylaminosulfur trifluoride

Chemical Property:

• Melting Point: −78.7 °C(lit.)
• Boiling Point: 117.5 °C(lit.)
• PKA: -5.36±0.70(Predicted)
• Flash Point: 10°C
• PSA: 28.54000
• Density: 1.23g/cm³
• LogP: 1.92110
• Storage Temp.: 2-8°C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 133.01730486
• Heavy Atom Count: 7
• Complexity: 58.4

Purity/Quality:

98%,99%, ^*data from raw suppliers

(Dimethylamino)sulfur trifluoride ≥95% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,C
• Statements: 11-20/21/22-35
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)S(F)(F)F
• Uses: Fluorinating Agent used in the fluorination of compounds such asAlchols, aldehydes and ketonesFluorinated Podophyllotoxin derivativesProtected glycosyl fluorides from thioglycosides

Technology Process of Dimethylaminosulfur trifluoride

There total 2 articles about Dimethylaminosulfur 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:

N,N-Dimethyltrimethylsilylamine (2083-91-2) → dimethylaminosulphur trifluoride (3880-03-3)

Guidance literature:

With sulfur tetrafluoride;

Reference yield:

→ dimethylaminosulphur trifluoride (3880-03-3)

Guidance literature:

(N-Dimethylamino)trimethylsilan, SF4;

DOI:10.1021/ic50056a031

Reference yield: 99.0%

dimethylaminosulphur trifluoride (3880-03-3) + trimethyl-(1H,1H,5H-octafluoropentyloxy)silane (56002-63-2) → C7H9F10NOS (80027-83-4)

Guidance literature:

In diethyl ether; 1.) 0 deg C - 5 deg C, 10 min; 2.) 20 deg C, 30 min.;

upstream raw materials:

N,N-Dimethyltrimethylsilylamine

Downstream raw materials:

C₇H₉F₁₀NOS

fluorocyclohexane

cyclohexene

C₁₂H₁₂F₂O₂

Refernces