CAS 63393-96-4 Trioctylmethylammonium Chloride (R=C8-C10) [Phase-transfer Catalyst]

Synonyms

Trioctylmonomethylammonium chloride; CTK3J1101; CAS-5137-55-3; NSC-61369; Tri-n-octylmethylammonium Chloride; A828561; METHYL-TRIOCTYL-AZANIUM CHLORIDE; Adogen 464; trioctylmethyl ammonium chloride; I14-19403;

IUPAC Name

methyl(trioctyl)azanium;chloride;

Molecular Weight

404.164g/mol

Molecular Formula

C25H54ClN;

Canonical SMILES

CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC.[Cl-];

InChI

InChI=1S/C25H54N.ClH/c1-5-8-11-14-17-20-23-26(4,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3;/h5-25H2,1-4H3;1H/q+1;/p-1;

InChI Key

XKBGEWXEAPTVCK-UHFFFAOYSA-M;

Storage

Store below +30°C.

Complexity

220

Covalently-Bonded Unit Count

EC Number

225-896-2

Exact Mass

403.394g/mol

H-Bond Acceptor

Heavy Atom Count

Monoisotopic Mass

403.394g/mol

NSC Number

61369

Rotatable Bond Count

Topological Polar Surface Area

0A^2

UNII

07Q8S2MJ6A

Application

Trioctylmethylammonium Chloride (R=C8-C10) serves a versatile role as a phase-transfer catalyst. This amber viscous liquid at room temperature is indispensable for various chemical processes, including the catalytic oxidation of cyclohexene to 1,6-hexanedioic acid, and plays a crucial role in the total synthesis of complex compounds like Manzamine A. Its effectiveness extends to industrial applications as an anti-static agent for textiles, aiding in wastewater treatment by controlling foaming and acting as a key reagent for extracting metals such as cadmium, zinc, iron, and rare earth elements. Additionally, it facilitates the preparation of methylphenyl ether from sodium phenolate in reaction with methyl bromide, proving suitable for a wide range of phase-transfer catalysis applications without necessitating an aqueous work-up.

March 18, 2025

Efficient Catalyst for Research Applications

Trioctylmethylammonium Chloride performed excellently in our lab, facilitating the oxidation of cyclohexene. This amber, viscous liquid simplifies metal extraction and reaction processes considerably, proving to be an indispensable tool in our research projects.