5787-50-8

Basic information

• Product Name: sodium p-tert-butylphenolate
• Synonyms: sodium p-tert-butylphenolate;Sodium p-tert-butylphenate;(4-tert-Butylphenoxy) sodium;Sodium 4-tert-butylphenolate;Sodium 4-tert-butylphenoxide;Phenol, 4-(1,1-diMethylethyl)-, sodiuM salt
• CAS NO: 5787-50-8
• Molecular Formula: C₁₀H₁₃NaO
• Molecular Weight: 172.19939
• EINECS: 227-318-4
• Mol File: 5787-50-8.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 233.7°Cat760mmHg
• Flash Point: 110.9°C
• Appearance: /
• Density: g/cm³
• Refractive Index: 1.685
• CAS DataBase Reference: sodium p-tert-butylphenolate(CAS DataBase Reference)
• NIST Chemistry Reference: sodium p-tert-butylphenolate(5787-50-8)
• EPA Substance Registry System: sodium p-tert-butylphenolate(5787-50-8)

Safety Data

• Hazardous Substances Data: 5787-50-8(Hazardous Substances Data)

Usage

General Description

Sodium p-tert-butylphenolate is a chemical compound used primarily as a strong base and sodium source in organic synthesis. It is a sodium salt derivative of p-tert-butylphenol, which is a common phenolic compound. This chemical is a strong nucleophile and is commonly used in reactions that require deprotonation of acidic protons. Additionally, it is employed as a catalyst in various organic reactions such as C-C bond formation, polymerization, and deprotonation of carbon acids. The compound is highly reactive and must be handled with caution due to its strong basic properties.

InChI:InChI=1/C22H17BrN4O/c1-14(15-8-10-19(23)11-9-15)24-27-22(28)21-13-20(25-26-21)18-7-6-16-4-2-3-5-17(16)12-18/h2-13H,1H3,(H,25,26)(H,27,28)/b24-14+

Upstream product

• 35645-16-0 p-tert-Butylphenoxyl radical 
• 98-54-4 para-tert-butylphenol 

Downstream Products

• 63403-36-1 α-(4-tert. butylphenoxy)-isovaleric acid ethyl ester 
• 13677-58-2 Thiophosphorsaeure-di-O-aethylester-O-<4-tert.-butyl-phenylester> 
• 116858-45-8 Thiocarbonic acid O,O-bis-(4-tert-butyl-phenyl) ester 
• 78533-03-6 Thiophosphorsaeure-(4-tert-butylphenylester)-S-methylester-chlorid 
• 98399-94-1 C₁₈H₂₅NO₄ 
• 78-33-1 tri-p-tert-butylphenol phosphate ester 
• 73675-45-3 N,N-dimethyl-2-<4-ter-butylphenoxy>-ethylamine 
• 78533-01-4 Phosphorsaeure-(4-tert-butylphenylester)-methylester-chlorid 
• 3344-19-2 4-tert-butyl-phenoxyacetic acid ethyl ester 
• 1942-71-8 (+/-)-2-<4-(tert-butylphenoxy)>cyclohexan-1-ol 
• 13522-39-9 Thiobenzoesaeure-O-<4-tert.butyl-phenylester> 
• 13522-61-7 N,N-Dimethyl-thiocarbamidsaeure-O-<4-tert.-butyl-phenylester> 
• 4021-36-7 2,4,6-tris-(4-tert-butyl-phenoxy)-[1,3,5]triazine 
• 24806-16-4 allyl p-cymyl ether 

Relevant articles and documents

Copper complexes of superpodal amine ligands and reactivity studies towards dioxygen

The results of studies focussed on copper complexes of a variety of ligands with an NN4 donor set are reported. The permethylated tetrapodal ligand 2 forms a complex with copper(I) which, upon reaction with dioxygen at -90 °C, yields a product having a bis(μ-oxido)dicopper(III) core ( O-type product, 10), as inferred from UV/Vis and resonance-Raman spectroscopic data. The UV/Vis spectrum of 10 has two bands at 300 and 404 nm, with extinction coefficients of 9400 and 10400 L mol-1 cm -1, respectively. Resonance-Raman spectra display two 16O/18O-sensitive bands which, based on the isotopic shifts and the absolute frequencies, are attributed to the Cu-O stretching modes of the O-type product. Complex 10 shows tyrosinase-like activity, as its reaction with sodium p-tert-butylphenolate at -90 °C in THF yields p-tert-butylcatechol, in an ortho-hydroxylation reaction (yield: 30 %). Two new rigid tetrapodal pentadentate ligands (the superpods 3 and 4) can be synthesized by condensation of the primary polyamine 1 with paraformaldehyde. Their copper(II) complexes (5 and 6) have been spectroscopically characterized. As ascertained by X-ray crystallography, 5 has the CuII ion in a tetragonal-pyramidal environment, with almost uniform Cu-N bond lengths (basal bonds: 2.052 A and 2.070 A; apical bond: 2.077 A). No significant Jahn-Teller distortion is observed here. In 6, the ligand acts as a multinucleating donor, which leads to the formation of a ladder-like cluster of [Cu(μ3-OH)] units containing a total of two ligands, six copper(II) ions, four hydroxido ligands and eight trifluoroacetate ions. Two of the trifluoroacetate ions are non-coordinating. Variable-temperature magnetic susceptibility data are reported for this hexanuclear copper(II) cluster. Copper(I) complexes of 1 and 3 have been characterized and allowed to react with molecular oxygen, which caused the decomposition of the complexes. The IR spectra of the oxygenation products have bands at 1652 and 1632 cm-1, respectively, which are absent in the spectra of 1 and 3, suggesting that amine functions have been oxidized to imines.Copyright

METHODS FOR PRODUCING PERFLUOROALKANEDI(SULFONYL CHLORIDE)

Novel methods for preparing perfluoroalkanedi(sulfonyl chloride) are disclosed as are uses for these compounds. In one aspect, a method comprising reacting dibromoperfluoroalkane with Na2S2O4 followed by treating with chlorine, an organic compound, and then chlorine to form perfluoroalkanedi(sulfonyl chloride) is provided. Novel perfluoroalkanedi(sulfonyl bromide) compounds are also disclosed.