Ammoniumtrifluoroacetate

Base Information

• Chemical Name: Ammoniumtrifluoroacetate
• CAS No.: 3336-58-1
• Molecular Formula: C2H F3 O2 . H3 N
• Molecular Weight: 131.054
• Hs Code.: 29159000
• European Community (EC) Number: 222-072-4
• DSSTox Substance ID: DTXSID10954989
• Mol file: 3336-58-1.mol

Synonyms:Ammonium trifluoroacetate;3336-58-1;ammoniumtrifluoroacetate;EINECS 222-072-4;NSC 148335;Acetic acid, trifluoro-, ammonium salt;C2HF3O2.H3N;C2-H-F3-O2.H3-N;ammonium trifluroacetate;ammonium triflouroacetate;CF3COONH4;SCHEMBL375389;DTXSID10954989;Trifluoroacetic acid, ammonium salt;AMY22314;AKOS025295167;CS-O-00926;FT-0622355;J-019164

Chemical Property of Ammoniumtrifluoroacetate

Chemical Property:

• Appearance/Colour: WHITE CRYSTALS OR CRYSTALLINE POWDER
• Melting Point: 123-125 °C(lit.)
• Boiling Point: 72.2 °C at 760 mmHg
• Flash Point: 49.9 °C
• PSA: 40.54000
• Density: g/cm³
• LogP: 0.95720
• Sensitive.: Hygroscopic
• Solubility.: H2O: 0.1 g/mL at 25 °C, clear, colorless
• Water Solubility.: Soluble in Water.
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 131.01941286
• Heavy Atom Count: 8
• Complexity: 77.9

Purity/Quality:

99% ^*data from raw suppliers

Ammonium trifluoroacetate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Ammonium Compounds
• Canonical SMILES: C(=O)(C(F)(F)F)[O-].[NH4+]
• Uses: Used in the synthesis of hexafluoro-2-aminopentan-4-one ligand and in tuning and calibrating new liquid chromatography/mass spectrometry systems. Applications of ammonium trifluoroacetate as an additive for elution of chiral acids and bases from derivatized polysaccharide stationary phases

Technology Process of Ammoniumtrifluoroacetate

There total 10 articles about Ammoniumtrifluoroacetate 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: 96.0%

→ ammonium trifluoroacetate (3336-58-1) + N-Boc-O-t-Butyl-Tyr-Gly-Gly-Phe-Leu-CO2-PEG-OMe

Guidance literature:

Reference yield: 96.0%

→ ammonium trifluoroacetate (3336-58-1) + indan-1,2,3-trione hydrate (485-47-2)

Guidance literature:

Reference yield: 87.0%

9-{(3aR,4R,6S, 6aR)-6-[5-(tert-butyl)-1,3,4-oxadiazol-2-yl]-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl}-N-(4-chloro-2-fluorophenyl)-9H-purin-6-amine (253127-02-5) → (2S,3S,4R,5R)-2-(5-tert-butyl-[1,3,4]oxadiazol-2-yl)-5-[6-(4-chloro-2-fluoro-phenylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol + 2,2,2-trifluoroacetic acid ammonia (3336-58-1) + acetone (67-64-1)

Guidance literature:

9-{(3aR,4R,6S, 6aR)-6-[5-(tert-butyl)-1,3,4-oxadiazol-2-yl]-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl}-N-(4-chloro-2-fluorophenyl)-9H-purin-6-amine; With trifluoroacetic acid; In water; at 20 - 30 ℃; for 1.5h;

With methanol; ammonia; In water; at 5 - 51 ℃; for 3h; pH=8;

upstream raw materials:

2,2,2-trifluoro-N-phenylacetamide

5,5,5-trifluoro-4-hydroxy-pent-3-en-2-one

1-phenyl-4,4,4-trifluorobutane-1,3-dione

9-{(3aR,4R,6S, 6aR)-6-[5-(tert-butyl)-1,3,4-oxadiazol-2-yl]-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl}-N-(4-chloro-2-fluorophenyl)-9H-purin-6-amine

Downstream raw materials:

1,1,1,3',3',3'-hexafluoro-propanol

5-(2-amino-1-hydroxy-2-m-tolyl-ethyl)-1-cyclopentyl-3-methyl-1,3-dihydro-benzoimidazol-2-one hydrochloride

3-Hydroxymethyl-8-oxo-7-(2-thiophen-2-yl-acetylamino)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid 4-nitro-benzyl ester

(diisopropoxyphosphoryl)formic acid 4-nitrophenylhydrazide

Refernces

• 1、 -. "SOLUBLE COMBINATORIAL LIBRARIES". . . Retrieved 2008/06/13.
• 2、 -. "Compositions comprising a cryptophycin compound in combination with a synchronizing or activating agent for treating cancer". . . Retrieved 2008/06/13.