(Diethylamino)sulfur trifluoride(DAST) - ≥95% , CAS No.38078-09-0

CAS: 38078-09-0 Cat. No.: D111067 Molecular Weight: 161.19 EC Number: 253-771-2

GRADE & PURITY ≥95%

Synonyms

EINECS 253-771-2 | N,N-diethlaminosulfur trifluoride | n-ethyl-n-(trifluoro-lambda4-sulfanyl)-1-ethanamine | Sulfur, (N-ethylethanaminato)trifluoro-, (T-4)- | A824005 | diethylaminosulfate trifluoride | diethylaminosulfur trifluoride (DAST) | SCHEMBL1693

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Diethylamino sulfur trifluoride (DAST) is a fluorinating reagent used in the synthesis of fluorinated compounds and ring-opening reactions.
Application

Fluorinating Reagent · Fluorinating agent: reaction with alcohols and carbonyl compounds, Review · Review on nucleophilic fluorination. · Catalyst for Friedel-Crafts allylation using tertiary cyclopropyl silyl ethers and the rearrangement of homoallylic alcohols to unsaturated aldehydes. · Early introduction of a fluoromethyl group stabilizes the epoxide during further manipulations in the synthesis of 26-fluoro-epothilone. · Fluorinating agent for a variety of compounds, including thioethers, alkenols, and cyanohydrins. · Reagent for gem difluorination of ketopipecolinic acids.

Specifications

Synonyms

EINECS 253-771-2 | N, N-diethlaminosulfur trifluoride | n-ethyl-n-(trifluoro-lambda4-sulfanyl)-1-ethanamine | Sulfur, (N-ethylethanaminato)trifluoro-, (T-4)- | A824005 | diethylaminosulfate trifluoride | diethylaminosulfur trifluoride (DAST) | SCHEMBL1693

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CCN(CC)S(F)(F)F
• IUPAC Name: N-ethyl-N-(trifluoro-λ4-sulfanyl)ethanamine
• InChIKey: CSJLBAMHHLJAAS-UHFFFAOYSA-N
• INCHI: 1S/C4H10F3NS/c1-3-8(4-2)9(5,6)7/h3-4H2,1-2H3
• Isomeric SMILES: CCN(CC)S(F)(F)F
• UN Number: 2920
• Packing Group: I
• Molecular Weight: 161.19
• Reaxy-Rn: 1849066
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1849066&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organonitrogen compounds
• Alternative Parents: Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organonitrogen compounds. These are organic compounds containing a nitrogen atom.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Miscible with water, ethanol, benzene and acetonitrile.
• Sensitivity: heat sensitive,Moisture sensitive
• Refractive Index: 1.41-1.416
• Flash Point(°F): 73.4 °F
• Flash Point(°C): 23℃
• Boil Point(°C): 32°C/10mmHg
• Molecular Weight: 161.190 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 161.049 Da
• Monoisotopic Mass: 161.049 Da
• Topological Polar Surface Area: 4.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 78.400
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Peipei Ji, Xiuwu Wang, Lianpei Zhou, Guiyang Zhou, Tao Chen.  (2025)  Compartmentalization of Brönsted Acid/Pybox-Ru(II) by Polymeric Micelles for One-Pot Tandem Catalysis.  ChemistrySelect,  10  (15): (e202501120).  [PMID:] [10.1002/slct.202501120]