94386-21-7 Usage
General Description
2,6-bis[(1-methyl-1H-pyrrol-2-yl)methylene]cyclohexan-1-one is a chemical compound that belongs to the class of cyclohexanones. It is a derivative of cyclohexanone, with two molecules of 1-methyl-1H-pyrrol-2-yl)methylene attached to the 2 and 6 positions of the cyclohexane ring. 2,6-bis[(1-methyl-1H-pyrrol-2-yl)methylene]cyclohexan-1-one is commonly used in organic synthesis and medicinal chemistry as a building block for the synthesis of various pharmaceuticals and agrochemicals. It is also known for its potential biological activities, including antitumor and antifungal properties. Due to its unique structure, it has attracted significant interest from researchers in the fields of chemistry and pharmacology for its potential applications in drug development and other industrial uses.
Check Digit Verification of cas no
The CAS Registry Mumber 94386-21-7 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 9,4,3,8 and 6 respectively; the second part has 2 digits, 2 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 94386-21:
(7*9)+(6*4)+(5*3)+(4*8)+(3*6)+(2*2)+(1*1)=157
157 % 10 = 7
So 94386-21-7 is a valid CAS Registry Number.
InChI:InChI=1/C18H20N2O/c1-19-10-4-8-16(19)12-14-6-3-7-15(18(14)21)13-17-9-5-11-20(17)2/h4-5,8-13H,3,6-7H2,1-2H3/b14-12+,15-13+
94386-21-7Relevant articles and documents
Pyrrole-based enone dyes as radical photointiator under 405/460 nm LED lamp: The effect of ketone structure
Xue, Tanlong,Li, Yang,Tang, Liqun,Tang, Ruifen,Nie, Jun,Zhu, Xiaoqun
, (2021)
Enone dyes have gained tremendous attention as photoinitiator in visible light induced photopolymerization. However, the structure-relationship of the enone's photochemical-reactivity, which strongly determined their initiation efficiency, were not fully uncovered. In this work, pyrrole-based enones (PYOs) were synthesized by the condensation of N-methypyrrole-2-aldehyde and four different ketones, yielding C3PY, C6PY, C6NPY, and C6SPY. It was found that variation of ketone part slightly affected their absorption properties but significantly changed their photophysical behavior. Accordingly, initiation performance of PYOs toward an acrylate monomer, when co-used with onimum salt or triethanolamine as additives, differentiated with each other, which is in line with the photolysis experiment results. DFT calculation proved that imposing a six-member ring on ketone part decreases the molecular planarity of C6PY, C6NPY, and C6SPY, which in turn, enhances their internal conversion yield and decrease their photochemical reactivity. This work provides meaningful information for the structure-property relationships territory of enone dyes.