1098339-79-7

Upstream product

• 2338-75-2 4-(Trifluoromethyl)phenylacetonitrile 
• 75-52-5 nitromethane 
• 402-43-7 p-trifluoromethylphenyl bromide 
• 1355333-04-8 ethyl 2-(4-(trifluoromethyl)phenyl)-2-nitroacetate 
• 98-56-6 4-chlorobenzotrifluoride 
• 402-49-3 4-bromomethyltrifluoromethylbenzene 

Downstream Products

• 455-19-6 4-Trifluoromethylbenzaldehyde 
• 3047-99-2 4-trifluoromethylbenzylamine hydrochloride 

Relevant academic research and scientific papers

Kinetic study of proton-transfer reactions of phenylnitromethanes. Implication for the origin of nitroalkane anomaly

Measurements of rate constants and substituent effects for three important elementary steps of proton-transfer reactions of phenylnitromethane were reported. The Hammett ? values for the deprotonation of ArCH2NO 2 with OH-

Cinchonidinium acetate as a convenient catalyst for the asymmetric synthesis of cis-stilbenediamines

Inexpensive and readily available cinchonidinium acetate is an effective catalyst for the syn-selective aza-Henry reaction of arylnitromethanes and aryl imines. The resulting masked cis-stilbenediamine products are produced in excellent diastereoselectivi

Broadening antifungal spectrum and improving metabolic stablity based on a scaffold strategy: Design, synthesis, and evaluation of novel 4-phenyl-4,5-dihydrooxazole derivatives as potent fungistatic and fungicidal reagents

5-phenylthiophene derivatives exhibited excellent antifungal activity against Candida albicans, Candida tropicalis and Cryptococcus neoformans. However, optimal compound 7 was inactive against Aspergillus fumigatus and unstable in human liver microsomes in vitro with a half-life of 18.6 min. To discover antifungal agents with a broad spectrum and improve the metabolic properties of the compounds, the scaffold hopping strategy was adopted and a series of 4-phenyl-4,5-dihydrooxazole derivatives were designed and synthesized. It was especially encouraging that compound 22a displayed significant antifungal activities against eight susceptible strains and seven FLC-resistant strains. Furthermore, the potent compound 22a could prevent the formation of fungalbiofilms and displayed satisfactory fungicidal activity. In addition, the metabolic stability of compound 22a was improved significantly, with the half-life of 70.5 min. Compound 22a was almost nontoxic to mammalian A549, MCF-7, HepG2, and 293T cells. Moreover, pharmacokinetic studies in SD rats showed that compound 22a exhibited pharmacokinetic properties with a bioavailability of 15.22% and a half-life of 4.44 h, indicating that compound 22a is worthy of further study.

Catalytic Asymmetric Cycloadditions of Silyl Nitronates Bearing α-Aryl Group

1,3-Dipolar cycloadditions of 2-alkylacroleins or atropaldehyde with triisopropylsilyl nitronates bearing an α-aryl group produced 3-aryl-2-isoxazolines having a chiral quaternary center in up to 94% ee and up to 88% yield with the aid of Corey’s oxazaborolidine catalyst. Specifically, the TIPS nitronate with an α-(p-methoxyphenyl) group gave mainly the 2-isoxazolines having an all-carbon quaternary center.

Method for preparing p-benzaldehyde

The invention discloses a method for preparing trifluoromethylbenzaldehyde. P-trifluoromethyl chlorobenzene, nitromethane and triethylamine are adopted as initial raw materials, an intermediate 1-nitro methyl-4-benzotrifluoride is prepared through a substitution reaction without a solvent or under the condition that a solvent exists, and then the target product trifluoromethylbenzaldehyde is prepared through an oxidizing reaction under the action of ozone. The mass percentage content of obtained trifluoromethylbenzaldehyde ranges from 98.1% to 99.5% (liquid chromatogram, external standard method), and the total yield ranges from 90.3% to 96.5% (by p-trifluoromethyl chlorobenzene). The reaction equation is shown in the specification. According to the method, the synthetic raw materials and the process routine are improved and innovated, no metal catalyst is adopted any more, the raw materials are cheap and easy to obtain, the process procedure and operation are easy, aftertreatment is easy, a high-quality p-benzaldehyde product can be prepared through two popular reaction steps, namely, the substitution reaction and the ozonation reaction, and the reaction yield and product quality are both high.

Conversion of nitroalkanes into carboxylic acids via iodide catalysis in water

We report a new method for the conversion of nitroalkanes into carboxylic acids that achieves this transformation under very mild conditions. Catalytic amounts of iodide in combination with a simple zinc catalyst are needed to give good conversions into the corresponding carboxylic acids.

Scalable, easy synthesis, and efficient isolation of arylnitromethanes: a revival of the Victor Meyer reaction

A modified approach to synthesize and isolate arylnitromethanes is described. The method takes advantage of the significant difference in acidity between the arylnitromethane and the major impurity of the reaction, the nitrite ester. The arylnitromethanes resulting from this process are obtained in high yields and are analytically pure, i.e., they do not require distillation or further purification, which is a comfortable improvement of the ancestral Victor Meyer reaction.

2-Aryl-2-nitroacetates as central precursors to aryl nitromethanes, α-ketoesters, and α-amino acids

Nitroarylacetates are useful small molecular building blocks that act as precursors to α-ketoesters and aryl nitromethanes as well as α-amino acids. Methods were developed that produce each of these compound types in good yields. Two different conditions

Palladium-catalyzed nitromethylation of aryl halides: An orthogonal formylation equivalent

An efficient cross-coupling reaction of aryl halides and nitromethane was developed with the use of parallel microscale experimentation. The arylnitromethane products are precursors for numerous useful synthetic products. An efficient method for their direct conversion to the corresponding oximes and aldehydes in a one-pot operation has been discovered. The process exploits inexpensive nitromethane as a carbonyl equivalent, providing a mild and convenient formylation method that is compatible with many functional groups.