Tetrabutylammonium acetate

Base Information

• Chemical Name: Tetrabutylammonium acetate
• CAS No.: 10534-59-5
• Deprecated CAS: 868274-17-3
• Molecular Formula: C16H36N^.C2H3O2
• Molecular Weight: 301.513
• Hs Code.: 29239000
• European Community (EC) Number: 234-101-8
• DSSTox Substance ID: DTXSID8065111
• ChEMBL ID: CHEMBL1079205
• Mol file: 10534-59-5.mol

Synonyms:Tetrabutylammonium acetate;10534-59-5;Tetra-n-butylammonium acetate;1-Butanaminium, N,N,N-tributyl-, acetate;tetrabutylazanium acetate;tetrabutylazanium;acetate;EINECS 234-101-8;1-Butanaminium, N,N,N-tributyl-, acetate (1:1);MFCD00043208;Tetrabutyl ammonium acetate;tetrabutylazanium ethanoate;tetra butyl ammonium acetate;SCHEMBL36122;Ammonium, tetrabutyl-, acetate;CHEMBL1079205;DTXSID8065111;C16H36N.C2H3O2;BCP24468;STR04572;AKOS015837512;CS-W008039;HY-W008039;C16-H36-N.C2-H3-O2;FT-0636730;T2694;D70423;EN300-726558;A801201;A904707;J-001392;TETRABUTYLAMMONIUM ACETATE (CONTAINS 17%ACOH)

Chemical Property of Tetrabutylammonium acetate

Chemical Property:

• Appearance/Colour: white or light yellow crystalline powder
• Melting Point: 95-98 °C
• Refractive Index: n20/D 1.389
• Boiling Point: 100 °C
• Flash Point: 100°C
• PSA: 40.13000
• Density: 0.99 g/mL at 25 °C
• LogP: 3.75980
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Hygroscopic
• Solubility.: acetonitrile: 0.1 g/mL, clear, colorless to very faint brow
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 12
• Exact Mass: 301.298079487
• Heavy Atom Count: 21
• Complexity: 142

Purity/Quality:

98% HPLC ^*data from raw suppliers

Tetrabutylammonium Acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Quaternary Amines
• Canonical SMILES: CCCC[N+](CCCC)(CCCC)CCCC.CC(=O)[O-]
• Uses: Tetrabutylammonium Acetate acts as a catalyst in organic syntheses of anion sensors.

Technology Process of Tetrabutylammonium acetate

There total 27 articles about Tetrabutylammonium acetate 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%

tetrabutyl-ammonium chloride (1112-67-0) + potassium acetate (127-08-2) → tetrabutylammonium acetate (10534-59-5)

Guidance literature:

In methanol;

DOI:10.1039/d0cy00118j

Reference yield: 81.0%

tetra(n-butyl)ammonium hydroxide (2052-49-5) + acetic acid (64-19-7,77671-22-8) → tetrabutylammonium acetate (10534-59-5)

Guidance literature:

In methanol; at 20 ℃;

DOI:10.1002/anie.201709218

Reference yield: 70.0%

methanol (67-56-1) + Os(18)O4 (31645-88-2) + tetra-n-butylammonium cyanide (10442-39-4) + acetic acid (64-19-7,77671-22-8) → formaldehyd (50-00-0,30525-89-4,61233-19-0) + tetrabutylammonium trans-(18)O-dioxotetracyanoosmate(VI) + tetrabutylammonium acetate (10534-59-5) + 18O-labeled water (14797-71-8)

Guidance literature:

In methanol; under inert gas; (n-Bu4N)CN added to a soln. of Os(18)O4 in abs. MeOH; dropwise addn. of acetic acid/MeOH in 45 min; solvent removed in vac., pptd. Os complex isolated;

upstream raw materials:

silver(I) acetate

tetra-(n-butyl)ammonium iodide

tributyl-amine

C₂₅H₂₈N₂O₂

Downstream raw materials:

acetic acid phenethyl ester

2-(4-bromophenyl)-2-oxoethyl acetate

3-acetoxy-3-phenyldiazirine

3-phenyl-3H-diazirine

Refernces

• 1、 Nakayama,Torigata. "HYDRATES OF ORGANIC COMPOUNDS - VIII. THE EFFECT OF CARBOXYLATE ANIONS ON THE FORMATION OF CLATHRATE HYDRATES OF TETRABUTYLAMMONIUM CARBOXYLATES.". . p. 171 - 174. Retrieved 1984.
• 2、 Sun, Haoran,Wang, Bijia,Dimagno, Stephen G.. "A method for detecting water in organic solvents". . p. 4413 - 4416. Retrieved 2008.
• 3、 Tyszka-Gumkowska, Agata,Pikus, Grzegorz,Jurczak, Janusz. "Chiral recognition of carboxylate anions by (R)-BiNoL-based macrocyclic receptors". . . Retrieved 2019.
• 4、 Dagorne, Samuel,Dos Santos, Jo?o H. Z.,Jacques, Béatrice,López, Carlos Silva,Nieto Faza, Olalla,Schrekker, Henri S.,Sokolovicz, Yuri C. A.,Specklin, David. "Acetate-catalyzed hydroboration of CO2 for the selective formation of methanol-equivalent products". . p. 2407 - 2414. Retrieved 2020/05/13.