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345857

Tetrabutylammonium chloride hydrate

Name: Tetrabutylammonium chloride hydrate
Brand: ALDRICH

98%, solid

Synonym(s):

TBAC hydrate

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About This Item

Linear Formula:

(CH₃CH₂CH₂CH₂)₄N(Cl) · xH₂O

CAS Number:

37451-68-6

Molecular Weight:

277.92

UNSPSC Code:

12352116

PubChem Substance ID:

24861355

NACRES:

NA.22

EC Number:

214-195-7

MDL number:

MFCD00149970

Beilstein/REAXYS Number:

3765327

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Properties

Product Name

Tetrabutylammonium chloride hydrate, 98%

Quality Level

200

assay

98%

form

solid

reaction suitability

core: ammonium

mp

41-44 °C (lit.)

SMILES string

[Cl-].[N+](CCCC)(CCCC)(CCCC)CCCC.O

InChI

1S/C16H36N.ClH.H2O/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;/h5-16H2,1-4H3;1H;1H2/q+1;;/p-1

InChI key

FODWRUPJCKASBN-UHFFFAOYSA-M

Description

Application

Tetrabutylammonium chloride hydrate can be used:

As an additive in palladium-catalyzed cross-coupling reaction of heteroaromatic carboxylic acids with aryl bromides.
To enhance the reactivity of palladium-catalyzed arylation of methyl acrylates.
In derivatization of bis(spirodienone) calixarene having exocyclic double bonds to its chloro derivative.

Tetrabutylammonium chloride (TBAC) hydrate has been used as a phase transfer catalyst in the synthesis of fullerenols and in Heck-type palladium-catalyzed vinylation of organic halides in water. TBAC hydrate has also been reported to be a promising candidate for cool energy storage material.

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

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Synthesis of p-tert-butylcalix-4-arene derivatives with trans-alkyl substituents on opposite methylene bridges

Simaan S and Biali SE

The Journal of Organic Chemistry, 68(9), 3634-3639 (2003)

Unexpected intermolecular Pd-catalyzed cross-coupling reaction employing heteroaromatic carboxylic acids as coupling partners

Forgione P, et al.

Journal of the American Chemical Society, 128(35), 11350-11351 (2006)

On the efficiency of tetraalkylammonium salts in Heck type reactions

Jeffery T

Tetrahedron, 52(30), 10113-10130 (1996)

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Global Trade Item Number

SKU	GTIN
345857-100G	04061833002346
345857-25G	04061826760918
345857-5G	04061826760925