3130-29-8

Usage

InChI:InChI=1/C10H14O.K/c1-10(2,3)8-4-6-9(11)7-5-8;/h4-7,11H,1-3H3;/q;+1/p-1

Upstream product

• 98-54-4 para-tert-butylphenol 

Downstream Products

• 614-20-0 3-oxo-3-phenylpropionic acid 
• 22337-78-6 carbonyldihydridotris(triphenylphosphine)ruthenium(II) 
• 613265-07-9 RuH(η5-4-tert-butylphenoxide)(PPh3)2 
• 613265-08-0 [Ru(η6-4-tert-butylphenol)(PPh3)2]Cl 
• 5331-28-2 1-tert-butyl-4-phenoxybenzene 
• 178987-23-0 ((C₆H₅)3P)2N⁽¹⁺⁾*Ru₂(CO)6(OCH₃)3(OC₆H₄C(CH₃)3)2^(1-)=[((C₆H₅)3P)2N][Ru₂(CO)6(OCH₃)3(OC₆H₄C(CH₃)3)2] 
• 157072-60-1 carbonylchlorohydridotris(triphenylphosphine)ruthenium(II) 

Relevant academic research and scientific papers

Ambident Reactivity of Phenolate Anions Revisited: A Quantitative Approach to Phenolate Reactivities

Prompted by the observation that the regioselectivities of phenolate reactions (C versus O attack) are opposite to the predictions by the principle of hard and soft acids and bases, we performed a comprehensive experimental and computational investigation of phenolate reactivities. Rate and equilibrium constants for the reactions of various phenolate ions with benzhydrylium ions (Aryl2CH+) and structurally related quinone methides have been determined photometrically in polar aprotic solvents. Quantum chemical calculations at the SMD(MeCN)/M06-2X/6-31+G(d,p) level confirmed that O attack is generally favored under kinetically controlled conditions, whereas C attack is favored under thermodynamically controlled conditions. Exceptions are diffusion-limited reactions with strong electrophiles, which give mixtures of products arising from O and C attack, as well as reactions with metal alkoxides in nonpolar solvents, where oxygen attack is blocked by strong ion pairing. The Lewis basicity (LB) and nucleophilicity (N, sN) parameters of phenolates determined in this work can be used to predict whether their reactions with electrophiles are kinetically or thermodynamically controlled and whether the rates are activation- or diffusion-limited. Comparison of the measured rate constants for the reactions of phenolates with carbocations with the Gibbs energies for single-electron transfer manifests that these reactions proceed via polar mechanisms.

Design, synthesis, insecticidal, and acaricidal activities of novel pyrimidinamine derivatives containing a biphenyl ether

A series of original pyrimidinamine derivatives containing a biphenyl ether moiety were designed and synthesized. Their structures were confirmed by 1H NMR, MS, and elemental analyses. Their insecticidal activities against lepidopteran and hemiptera insects and acaricidal activities were tested. The results of bioassay demonstrated that 9k showed the best activity (LC50 = 2.08 mg/L) against Tetranychus urticae, which is comparable with the positive control, spirotetramat (LC50 = 2.27 mg/L), and 9g showed better activity (LC50 = 0.52 mg/L) against Aphis fabae than the positive control, imidacloprid (LC50 = 1.02 mg/L), and relatively good activity (LC50 = 2.49 mg/L) against T urticae. Their structure-activity relationships indicated that both an ethyl group on the 4-position of the pyrimidine ring and alkyl chain as a para-substituent group of the benzene ring showed good biological activity.

REACTION OF 6H-6-OXO--3(5)-HALOGENOANTHRAISOXAZOLES WITH INORGANIC NUCLEOPHILES

The reaction of 6H-6-oxo-3(5)-halogenoanthraisoxazoles with sodium azide in DMFA and also the potassium fluoride in acetonitrile in the presence of crown ethers leads to nucleophilic substitution of the halogen by the azide and fluoride ion respectively.