CAS 202289-38-1|bis(2-methoxyethyl)(trifluoro-$l^{4}-sulfanyl)amine|Bis(2-methoxyethyl)aminosulfur trifluoride|bis(2-methoxyethyl)(trifluoro-$l^{4}-sulfanyl)amine|Bis(2-methoxyethyl)aminosulphur tri...

General Information

Structure

Molecular Formula

C₆H₁₄F₃NO₂S

Molecular Mass

221.2410696

Exact Mass

221.06973435

Charge

InChI

InChI=1S/C6H14F3NO2S/c1-11-5-3-10(4-6-12-2)13(7,8)9/h3-6H2,1-2H3

InChIKey

APOYTRAZFJURPB-UHFFFAOYSA-N

Canonic Smiles

COCCN(S(F)(F)F)CCOC

Isomeric Smiles

N(S(F)(F)F)(CCOC)CCOC

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

0.20042366

LogD (pH = 7.4)

0.20042366

Log P

0.20042366

Molar Refractivity

46.2401

Polarizability

17.993706

Polar Surface Area

21.7

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

bis(2-methoxyethyl)(trifluoro-$l^{4}-sulfanyl)amine bis(2-methoxyethyl)(trifluoro-λ⁴-sulfanyl)amine

Synonyms

Bis(2-methoxyethyl)aminosulfur trifluorideBis(2-methoxyethyl)aminosulphur trifluoride (50% solution in toluene)Deoxo-Fluor® 溶液Bis(2-methoxyethyl)aminosulfur trifluoride solutionDeoxo-Fluor® solution双(2-甲氧基乙基)氨基三氟化硫溶液Deoxo-FluorBis(2-methoxyethyl)aminosulphur trifluoride (50% solution in THF)Bis(2-methoxyethyl)aminosulfur trifluoride双(2-甲氧基乙基)氨基三氟化硫Deoxo-Fluor®

IUPAC name

bis(2-methoxyethyl)(trifluoro-$l^{4}-sulfanyl)amine bis(2-methoxyethyl)(trifluoro-λ⁴-sulfanyl)amine

Names and Identifiers

Registration numbers

CAS Number

202289-38-1

PubChem SID

160973100248899852488998324872877

MDL Number

MFCD01321415

PubChem CID

2734690

Registration numbers

Properties

Safety Information

false

KEEP COLD, CORROSIVE, WATER REACTIVE

Toxic/Corrosive/Flammable/Moisture Sensitive/Store under Argon/Keep Cold

Toxic/Corrosive/Highly Flammable/Moisture Sensitive/Store under Argon/Keep Cold

Download link

Properties

Related Proteins

No Data Available

Click here to submit data

Molecular Spectra

No Data Available

Click here to submit data

Molecule Details

Apollo Scientific

PC5471

Deoxo-FluorR (Registered trademark of Air Products), 50% solution in Toluene. Stable alternative to DAST.

PC6001

Deoxo-FluorR (Registered trademark of Air Products), 50% solution in THF. Stable alternative to DAST.

Sigma Aldrich

494119

Other Notes
For a review of recent work on nucleophilic fluorination of organic compounds with Deoxo-Fluor® and DAST, see Synthesis, 2002, 17, 2561.1
One flask conversion of carboxylic acids to amides via the intermediacy of acyl fluorides.
Packaging
5, 25, 100 g in poly bottle
Legal Information
Deoxo-Fluor is a registered trademark of Air Products & Chemicals, Inc.

94327

Other Notes
Fluorinating agent with high thermal stability7,8,9
Packaging
10, 50 mL in PFA/FEP bottle
Application
Reactant for:
• Fluorination reactions1
• Preparation of fluorinated catechols via Umpolung based nucleophilic deoxyfluorination2
• Preparation of imidazole derivatives as CXCR3 antagonists3
• Ring expansion reactions4
• Synthesis of acyl azides from carboxylic acids5
• Aldehydes or ketones from carboxylic acids and Grignard reagents via in situ generation of Weinreb amides6
Legal Information
Deoxo-Fluor is a registered trademark of Air Products & Chemicals, Inc.

94324

Other Notes
Fluorinating agent with high thermal stability 7,8,9,10
Application
Reactant for:
• Fluorination reactions1
• Preparation of fluorinated catechols via Umpolung based nucleophilic deoxyfluorination2
• Preparation of imidazole derivatives as CXCR3 antagonists3
• Ring expansion reactions4
• Synthesis of acyl azides from carboxylic acids5
• Aldehydes or ketones from carboxylic acids and Grignard reagents via in situ generation of Weinreb amides6
Legal Information
Deoxo-Fluor is a registered trademark of Air Products & Chemicals, Inc.

Molecule Details

References

PubChem Literature

No Data Available

Click here to submit data

References

Bioactivity

PubChem BioAssay

Bioactivity