CAS 10534-59-5 Tetrabutylammonium Acetate - Materials / Alfa Chemistry

NAVIGATION

Tetrabutylammonium Acetate

PRICE INQUIRY

Catalog Number

ACM10534595-3

CAS Number

10534-59-5

Product Name

Tetrabutylammonium Acetate

Structure

Category

Battery Materials

Synonyms

1-Butanaminium, N,N,N-tributyl-, acetate (1:1)

IUPAC Name

tetrabutylazanium;acetate;

Molecular Weight

301.52

Molecular Formula

C18H39NO2

Canonical SMILES

CCCC[N+](CCCC)(CCCC)CCCC.CC(=O)[O-];

InChI

1S/C16H36N.C2H4O2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2(3)4/h5-16H2,1-4H3;1H3,(H,3,4)/q+1;/p-1

InChI Key

MCZDHTKJGDCTAE-UHFFFAOYSA-M

Melting Point

98 °C

Purity

>90.0%(T)

Appearance

White to Yellow powder to lump

Application

Tetrabutylammonium Acetate, a white powder, serves a pivotal role as a catalyst and promoter in various organic synthesis processes. It is utilized to efficiently catalyze the alkynylation of carbonyl compounds with trimethylsilylacetylenes, yielding propargylic alcohols in good quantities. Additionally, in concert with tetrabutylammonium bromide (TBAB), it functions as a molten reaction medium for synthesizing 4-aryl-2-quinolones. It also acts as a promoter for the regioselective direct arylation of azoles, such as 1-methylpyrazole, oxazole, and thiazole, using aryl bromides and a palladium acetate catalyst. Furthermore, Tetrabutylammonium Acetate is employed as an ionic liquid to dissolve cellulose alongside a DMSO co-solvent and serves as an activator in the synthesis of disubstituted alkynes through a copper-free Sonogashira coupling reaction.

Storage

Store under inert gas

Complexity

142

Covalently-Bonded Unit Count

EC Number

234-101-8

Exact Mass

301.298g/mol

Hazard Statements

H315 : Causes skin irritation.H319 : Causes serious eye irritation.

Heavy Atom Count

MDL Number

MFCD00043208

Monoisotopic Mass

301.298g/mol

Precautionary Statements

P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.

Rotatable Bond Count

Signal Word

Warning

Topological Polar Surface Area

40.1A^2

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