874290-94-5 Usage
Uses
Used in Pharmaceutical Industry:
4-[(DIETHYLCARBAMOYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER 98%4-(3-DIETHYLUREIDO)BENZENEBORONIC ACID, PINACOL ESTER is used as a key intermediate in the synthesis of complex molecules for pharmaceutical applications. Their unique chemical properties enable the formation of new C-C bonds, facilitating the creation of diverse drug candidates with potential therapeutic benefits.
Used in Agrochemical Industry:
In the agrochemical industry, 4-[(DIETHYLCARBAMOYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER 98%4-(3-DIETHYLUREIDO)BENZENEBORONIC ACID, PINACOL ESTER is utilized for the synthesis of agrochemical compounds, such as pesticides and herbicides. Their reactivity in C-C bond forming reactions allows for the development of novel and effective agrochemicals to protect crops and enhance agricultural productivity.
Used in Organic Synthesis:
4-[(DIETHYLCARBAMOYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER 98%4-(3-DIETHYLUREIDO)BENZENEBORONIC ACID, PINACOL ESTER is employed as a versatile reagent in organic synthesis, particularly in Suzuki-Miyaura cross-coupling reactions. These reactions enable the formation of carbon-carbon bonds, allowing chemists to construct complex molecular structures with high efficiency and selectivity, which is crucial for the development of new materials and compounds in various fields.
Check Digit Verification of cas no
The CAS Registry Mumber 874290-94-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 8,7,4,2,9 and 0 respectively; the second part has 2 digits, 9 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 874290-94:
(8*8)+(7*7)+(6*4)+(5*2)+(4*9)+(3*0)+(2*9)+(1*4)=205
205 % 10 = 5
So 874290-94-5 is a valid CAS Registry Number.
InChI:InChI=1/C17H27BN2O3/c1-7-20(8-2)15(21)19-14-11-9-13(10-12-14)18-22-16(3,4)17(5,6)23-18/h9-12H,7-8H2,1-6H3,(H,19,21)
874290-94-5Relevant academic research and scientific papers
Synthesis, characterization, crystal structure and DFT study of a new compound 3-(4-(2,4-dimorpholinopyrido[2,3-d]pyrimidin-6-yl)phenyl)-1,1-diethylurea
Dai, Hongyu,Deng, Liyuan,Liao, Wanpeng,Liu, Tong,Wu, Feng,Zhao, Chunshen,Zhou, Zhixu
, (2022/02/25)
In this study, the compound 3-(4-(2,4-dimorpholinopyrido[2,3-d]pyrimidin-6-yl)phenyl)-1,1-diethylurea was prepared. The synthesis of the compound was confirmed using 1H NMR, 13C NMR, HRMS and FT-IR spectroscopies. The crystal structure of the title compound was optimized using by density functional theory (DFT) calculations, and the molecular structure of the crystal was compared with theoretical calculations. The results show that the molecular structure optimized by DFT is essentially identical to the crystal structure determined by X-ray single-crystal diffraction. Additionally, the optimal structure and frontier orbital energy were calculated using DFT.
