Calcium bis(trifluoromethanesulfonyl)imide

Base Information

• Chemical Name: Calcium bis(trifluoromethanesulfonyl)imide
• CAS No.: 165324-09-4
• Molecular Formula: C2HF6NO4S2.1/2Ca
• Molecular Weight: 600.375
• European Community (EC) Number: 694-691-1
• Mol file: 165324-09-4.mol

Synonyms:Calcium triflimide;calcium bis(trifluoromethanesulfonyl)imide;T70384;Calcium(II) bis(trifluoromethanesulfonimide), 95%;EN300-20646128;1,1,1-TRIFLUORO-N-TRIFLUOROMETHANESULFONYL-N-[(N-TRIFLUOROMETHANESULFONYLTRIFLUOROMETHANESULFONAMIDO)CALCIO]METHANESULFONAMIDE

Chemical Property of Calcium bis(trifluoromethanesulfonyl)imide

Chemical Property:

• Melting Point: >300℃
• PSA: 85.04000
• LogP: 3.22090
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Moisture Sensitive
• Water Solubility.: Insoluble in water.
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 22
• Rotatable Bond Count: 4
• Exact Mass: 599.7971785
• Heavy Atom Count: 31
• Complexity: 840

Purity/Quality:

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

Calcium(II) Bis(trifluoromethanesulfonyl)imide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.[Ca+2]
• Uses: Calcium(II) Bis(trifluoromethanesulfonyl)imide (CAS# 165324-09-4) is a catalyst used in the regioselective synthesis of diaryl alkanes by hydroarylation of styrenes with arenes in hexafluoroisopropanol, and in the [3+2]-cycloaddion and cycloisomerization reactions of tertiary propargyl alcohols with acyclic 1,3-diketones.

Technology Process of Calcium bis(trifluoromethanesulfonyl)imide

There total 2 articles about Calcium bis(trifluoromethanesulfonyl)imide 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: 100.0%

bis(trifluoromethanesulfonyl)amide (82113-65-3) → calcium(II) bis(trifluoromethanesulfonyl)imide (165324-09-4)

Guidance literature:

With calcium carbonate; In water; at 20 ℃;

DOI:10.1039/c2gc35619h

Reference yield:

C2HF6NO4S2*C9H12O (1174719-19-7) → calcium(II) bis(trifluoromethanesulfonyl)imide (165324-09-4) + 1-(ethoxymethyl)benzene (539-30-0)

Guidance literature:

With calcium hydroxide; In ethanol; at 20 ℃; Inert atmosphere;

DOI:10.1016/j.tet.2009.04.068

Reference yield:

calcium(II) bis(trifluoromethanesulfonyl)imide (165324-09-4) + tert-butylammonium hexafluorophosphate(V) (3109-63-5) → CaNTf2PF6 + tetrabutylammonium bis[(trifluoromethane)sulfonyl]imide (210230-40-3)

Guidance literature:

In chloroform-d1; at 20 ℃; for 1h;

DOI:10.1002/adsc.201000768

upstream raw materials:

C₂HF₆NO₄S₂*C₉H₁₂O

bis(trifluoromethanesulfonyl)amide

Downstream raw materials:

tetrabutylammonium bis[(trifluoromethane)sulfonyl]imide