TRIFLUOROACETIC ACID:TRIETHYLAMINE 2M:2&

Base Information

• Chemical Name: TRIFLUOROACETIC ACID:TRIETHYLAMINE 2M:2&
• CAS No.: 454-49-9
• Molecular Formula: C6H15N.C2HF3O2
• Molecular Weight: 215.216
• Hs Code.: 2921199090
• European Community (EC) Number: 819-090-5
• DSSTox Substance ID: DTXSID80480604
• Mol file: 454-49-9.mol

Synonyms:TRIFLUOROACETIC ACID:TRIETHYLAMINE 2M:2&;TRIFLUOROACETIC ACID:TRIETHYLAMINE 2M:2M;triethylamine-trifluoroacetic acid 2m:2m solution;trifluoroacetic acid - triethylamine 2m:2m solution;Triethylamine-Trifluoroacetic acid 2M:2M solution, Triethylammonium trifluoroacetate solution

Chemical Property of TRIFLUOROACETIC ACID:TRIETHYLAMINE 2M:2&

Chemical Property:

• PSA: 40.54000
• Density: 1.08 g/mL at 20 °C
• LogP: 1.98140
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 215.11331324
• Heavy Atom Count: 14
• Complexity: 109

Purity/Quality:

99%, ^*data from raw suppliers

TRIETHYLAMINE-TRIFLUOROACETIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn,C,Xi
• Statements: 20-36/37/38-35
• Safety Statements: 26-45-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCN(CC)CC.C(=O)(C(F)(F)F)O

Technology Process of TRIFLUOROACETIC ACID:TRIETHYLAMINE 2M:2&

There total 4 articles about TRIFLUOROACETIC ACID:TRIETHYLAMINE 2M:2& 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: 99.0%

triethylamine (121-44-8) + trifluoroacetic acid (76-05-1) → triethylamine triflouroacetate (454-49-9)

Guidance literature:

In dichloromethane; at 0 - 20 ℃; for 0.166667h; Inert atmosphere;

DOI:10.1021/acs.orglett.8b03057

Reference yield: 34.0%

2-bromo-1-(5-bromopyridin-2-yl)ethanone hydrobromide (870694-29-4) + dimethyl amine (124-40-3) + triethylamine (121-44-8) → 1-(5-bromopyridin-2-yl)-2-(dimethylamino)ethanol TFA salt (870714-93-5) + dimethylamine TFA salt (2840-17-7) + triethylamine triflouroacetate (454-49-9)

Guidance literature:

2-bromo-1-(5-bromopyridin-2-yl)ethanone hydrobromide; dimethyl amine; triethylamine; In tetrahydrofuran; methanol; at -10 - -5 ℃; for 2h;

With sodium tris(acetoxy)borohydride; In tetrahydrofuran; methanol; at -5 ℃; for 1h;

With hydrogenchloride; potassium hydroxide; trifluoroacetic acid; more than 3 stages;

Reference yield:

triethylamine (121-44-8) + trifluoroacetic anhydride (407-25-0) → triethylamine triflouroacetate (454-49-9) + N,N-diethylaminomethylene-1,1,1,5,5,5-hexafluoroacetylacetone (74888-65-6) + trifluoroacyloxy acetal of fluoral (74888-66-7)

Guidance literature:

Product distribution; Mechanism;

DOI:10.1016/S0040-4039(00)78830-7

upstream raw materials:

triethylamine

trifluoroacetic acid

trifluoroacetic anhydride

2-bromo-1-(5-bromopyridin-2-yl)ethanone hydrobromide

Downstream raw materials:

{(η5-C5H5)Re(NO)(PPh3)NH3}OTf

{(η5-C5H5)Re(NO)(PPh3)NHMe2}OTf

11-bromoundecane-1,2-diol

Refernces

• 1、 Chawla, B.,Mehta, S. K.. "Hydrogen-Bonded Species of Pyridinium Halogenoacetetes. 2. Thermometric Behavior in Aprotic Solvents". . p. 2650 - 2655. Retrieved 1984.
• 2、 Shmukler,Gruzdev,Kudryakova,Fadeeva, Yu. A.,Kolker,Safonova. "Thermal behavior and electrochemistry of protic ionic liquids based on triethylamine with different acids". . p. 109664 - 109671. Retrieved 2016/11/30.