Tetrapentylammonium bromide - ≥98% , CAS No.866-97-7

CAS: 866-97-7 Cat. No.: T129138 Molecular Weight: 378.47 Beilstein Registry Number: 3658171 EC Number: 212-756-0 PubChem CID: 70086

GRADE & PURITY ≥98%

Synonyms

MFCD00011856 | EINECS 212-756-0 | T1432 | 1-Pentanaminium, N,N,N-tripentyl-, bromide | D95390 | DTXSID40883596 | Tetraamylammonium bromide | TetraamylammoniumBromide | tetrapentyl ammonium bromide | HY-W011052 | 1-Pentanaminium, N,N,N-tripentyl-, bromide

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

Tetrapentylammonium bromide is a quaternary ammonium salt with pentyl chains and a bromide counterion, which is generally used as a phase transfer catalyst.
Application
Tetrapentylammonium bromide can be used:
As a versatile structure-directing agent for the synthesis of Zeolite-like heterobimetallic cyanide frameworks.
As an alkylating agent for rhodium(I)-catalyzed alkylation reaction of benzylic amines[3] and for N-alkylation of azaheterocycles.
As a precursor to prepare a Cobalt-complex, {[(Pentyl)4N]3CoBr3}Cl2, which is used as a catalyst in the synthesis of multiwalled carbon nanotubes (MWCNTs).

Specifications

Synonyms

MFCD00011856 | EINECS 212-756-0 | T1432 | 1-Pentanaminium, N, N, N-tripentyl-, bromide | D95390 | DTXSID40883596 | Tetraamylammonium bromide | TetraamylammoniumBromide | tetrapentyl ammonium bromide | HY-W011052 | 1-Pentanaminium, N, N, N-tripentyl-, bromide

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CCCCC[N+](CCCCC)(CCCCC)CCCCC.[Br-]
• IUPAC Name: tetrapentylazanium;bromide
• InChIKey: SPALIFXDWQTXKS-UHFFFAOYSA-M
• INCHI: 1S/C20H44N.BrH/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4;/h5-20H2,1-4H3;1H/q+1;/p-1
• Isomeric SMILES: CCCCC[N+](CCCCC)(CCCCC)CCCCC.[Br-]
• WGK Germany: 3
• PubChem CID: 70086
• Molecular Weight: 378.47
• Beilstein: 3658171

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Quaternary ammonium salts

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Quaternary ammonium salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetraalkylammonium salts
• Alternative Parents: Organopnictogen compounds Organic bromide salts Hydrocarbon derivatives Amines
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetraalkylammonium salt - Organopnictogen compound - Hydrocarbon derivative - Organic bromide salt - Organic salt - Amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as tetraalkylammonium salts. These are organonitrogen compounds containing a quaternary ammonium substituted with four alkyl chains.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Soluble in water.
• Sensitivity: Moisture sensitive
• Melt Point(°C): 101 °C
• Molecular Weight: 378.500 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 16
• Exact Mass: 377.266 Da
• Monoisotopic Mass: 377.266 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 155.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

References

1. Zhong Yuan, Zhang Jiangwei, Li Tingting, Xu Wenwu, Yao Qiaofeng, Lu Min, Bai Xue, Wu Zhennan, Xie Jianping, Zhang Yu.  (2023)  Suppression of kernel vibrations by layer-by-layer ligand engineering boosts photoluminescence efficiency of gold nanoclusters.  Nature Communications,  14  (1): (1-12).  [PMID:36746958] [10.1038/s41467-023-36387-2]

2. Jiancheng Lan, Hammad Saulat, Haowen Wu, Liangqing Li, Jianhua Yang, Jinming Lu, Yan Zhang.  (2020)  Manipulation on microstructure of MFI membranes by binary structure directing agents.  MICROPOROUS AND MESOPOROUS MATERIALS,      [PMID:] [10.1016/j.micromeso.2020.110128]

3. Binwang Yang, Zhixiong Ye, Feiyu Lu, Jianna Yu, Jiaxu Liu, Xiuqing Zheng, Cheng Wang, Lian Duan, Zhijian Yang, Guoxing Jing, Wen Liu, Wenshan Li, Wenjie Liu.  (2024)  High Resolving Power Electrospray Ionization Ion Mobility Spectrometer Based on Fourier Deconvolution Multiplexing.  ANALYTICAL CHEMISTRY,      [PMID:39413295] [10.1021/acs.analchem.4c04549]