Tetrabutylammonium

Base Information

• Chemical Name: Tetrabutylammonium
• CAS No.: 10549-76-5
• Molecular Formula: C16H36BrN
• Molecular Weight: 242.469
• Hs Code.: 2923900090
• UNII: CBU2X6BBJR
• DSSTox Substance ID: DTXSID3045011
• Nikkaji Number: J91.255G
• Wikipedia: Tetrabutylammonium
• Wikidata: Q25323965
• Metabolomics Workbench ID: 56635
• ChEMBL ID: CHEMBL1236196
• Mol file: 10549-76-5.mol

Synonyms:Bu(4)NBr;tetra-n-butylammonium dodecylsulfate;tetra-n-butylammonium hexafluorophosphate;tetrabutylammonium;tetrabutylammonium azide;tetrabutylammonium bromide;tetrabutylammonium chloride;tetrabutylammonium cyanide;tetrabutylammonium fluoride;tetrabutylammonium hydrogen sulfate;tetrabutylammonium hydroxide;tetrabutylammonium iodide;tetrabutylammonium monophosphate;tetrabutylammonium nitrate;tetrabutylammonium perchlorate;tetrabutylammonium sulfate;tetrabutylammonium sulfate (1:1), sodium salt

Chemical Property of Tetrabutylammonium

Chemical Property:

• Appearance/Colour: powder
• Melting Point: 100-104℃
• PSA: 0.00000
• LogP: 5.00360
• Water Solubility.: 600 g/L (20℃)
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 12
• Exact Mass: 242.284775153
• Heavy Atom Count: 17
• Complexity: 116

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s): R36/37/38:
• Hazard Codes: Xi:Irritant
• Statements: R36/37/38:
• Safety Statements: S26:; S37/39:

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC[N+](CCCC)(CCCC)CCCC

Technology Process of Tetrabutylammonium

There total 4 articles about Tetrabutylammonium 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: 77.0%

N-(9-((2R,3S,4S,5R)-5-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-3-((tert-butyldimethylsilyl)oxy)-4-fluorotetrahydrofuran-2-yl)-6-oxo-6,9-dihydro-1H-purin-2-yl)isobutyramide → teterabutylammonium (10549-76-5) + N-(9-((2R,3S,4R,5R)-5-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-4-fluoro-3-hydroxytetrahydrofuran-2-yl)-6-oxo-6,9-dihydro-1H-purin-2-yl)isobutyramide

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 20 ℃; for 3h;

Reference yield:

chloro-trimethyl-silane (75-77-4) + tetrabutylammonium tetrafluoroborate (429-42-5) → trimethylsilyl fluoride (420-56-4) + teterabutylammonium (10549-76-5)

Guidance literature:

In acetonitrile; at 24 ℃; Inert atmosphere;

Reference yield:

C16H36N(1+)*C9H4O3(1-) → teterabutylammonium (10549-76-5) + Indanetrione anion radical (938-24-9)

Guidance literature:

In N,N,N,N,N,N-hexamethylphosphoric triamide; at 25 ℃; Equilibrium constant;

DOI:10.1021/j100444a018

upstream raw materials:

chloro-trimethyl-silane

tetrabutylammonium tetrafluoroborate

Downstream raw materials:

N(CH₃(CH₂)3)⁽¹⁺⁾ tetrakis[4-[2-(4,6-diamino-1,3,5-triazinyl)]phenyl]borate

Refernces

• 1、 -. "NOVEL STING AGONISTS". Paragraph 0727; 0733; 0735. . Retrieved 2020/05/14.