6068-72-0 Usage
Description
4-Cyanobenzoyl chloride is an almost white to beige crystalline powder that is utilized in various chemical reactions and synthesis processes. It is known for its participation in benzylamine acylation and its ability to react with specific compounds like 4-hydroxy-TEMPO, forming 4-cyanobenzoyl-TEMPO.
Uses
Used in Chemical Synthesis:
4-Cyanobenzoyl chloride is used as a key intermediate in the synthesis of new liquid crystalline heteroaromatic compounds. These compounds contain the five-membered isoxazole, tetrazole, and 1,2,4-oxadiazole rings, which are important for various applications in the chemical and materials science industries.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 4-Cyanobenzoyl chloride is used in the synthesis of substituted benzoate esters. These esters are crucial for studying their excited-state behavior, which can provide valuable insights into their potential applications as drugs or drug candidates.
Used in Materials Science:
4-Cyanobenzoyl chloride is also used in the materials science field, particularly for the development of new liquid crystalline materials. These materials have potential applications in display technologies, sensors, and other advanced materials due to their unique properties.
Purification Methods
If the IR shows the presence of OH, then treat it with SOCl2 boil for 1hour, evaporate and distil it in a vacuum. The distillate solidifies and can be recrystallised from pet ether. It is moisture sensitive and an IRRITANT. [Ashley et al. J Chem Soc 103 1942, Fison et al. J Org Chem 16 648 1951,[Beilstein 9 III 4255, 14 IV 3327.]
Check Digit Verification of cas no
The CAS Registry Mumber 6068-72-0 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,0,6 and 8 respectively; the second part has 2 digits, 7 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 6068-72:
(6*6)+(5*0)+(4*6)+(3*8)+(2*7)+(1*2)=100
100 % 10 = 0
So 6068-72-0 is a valid CAS Registry Number.
InChI:InChI=1/C8H4ClNO/c9-8(11)7-3-1-6(5-10)2-4-7/h1-4H
6068-72-0Relevant articles and documents
Synthesis and Liquid Crystalline Properties of Unsymmetrically Substituted Naphthalenediimides with a Polar Headgroup: Effect of Amide Hydrogen Bonding and Alkyl Chain Length
Ghule, Namdev V.,Bhosale, Rajesh S.,Bhosale, Sidhanath V.,Srikanth, Turlapati,Rao, Nandiraju V. S.,Bhosale, Sheshanath V.
, p. 61 - 67 (2018)
A series of new unsymmetrically substituted naphthalenediimide (NDI) moieties NDI-1 to NDI-6 were synthesized. The structures of these compounds were confirmed by means of FT-IR, 1H NMR, 13C NMR, ESI-mass and HRMS spectroscopic measu
Preparation method of benzoyl chloride compound
-
Paragraph 0064-0068, (2021/06/22)
The invention provides a preparation method of a benzoyl chloride compound. The preparation method comprises the following step: with a trichloromethyl benzene compound and a benzoic acid compound as raw materials and ferric oxide as a catalyst, carrying out a catalytic reaction to prepare the benzoyl chloride compound. According to the method disclosed by the invention, the benzoyl chloride compound can be obtained under the condition of not using a solvent, yield is up to 95% or above, atom economy is good, cost is lower, operation is simpler, more convenient and safer, the treatment amount of three wastes is smaller, the three wastes is easier to treat, and the method is more suitable for industrial production.
Rh(iii)-Catalyzed three-component cascade annulation to produce theN-oxopropyl chain of isoquinolone derivatives
He, Yuan,Liao, Xian-Zhang,Dong, Lin,Chen, Fen-Er
supporting information, p. 561 - 567 (2021/02/06)
Developing powerful methods to introduce versatile functional groups at theN-substituents of isoquinolone scaffolds is still a great challenge. Herein, we report a novel three-component cascade annulation reaction to efficiently construct theN-oxopropyl chain of isoquinolone derivativesviarhodium(iii)-catalyzed C-H activation/cyclization/nucleophilic attack, with oxazoles used both as the directing group and potential functionalized reagents.
