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Ethanone, 2-chloro-1-(3,4-dimethylphenyl)(9CI), commonly known as 2-chloroacetophenone, is a chemical compound with the molecular formula C10H11ClO. It is a colorless to pale yellow liquid that exhibits a pungent odor. Ethanone, 2-chloro-1-(3,4-dimethylphenyl)(9CI) is widely used in various applications, including the production of pharmaceuticals, as a flavoring agent, and as an intermediate in organic synthesis.

50690-08-9

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50690-08-9 Usage

Uses

Used in Pharmaceutical Industry:
Ethanone, 2-chloro-1-(3,4-dimethylphenyl)(9CI) is used as a key intermediate in the synthesis of various pharmaceutical compounds. Its unique chemical structure allows it to be a versatile building block for the development of new drugs with potential therapeutic applications.
Used as a Flavoring Agent:
Due to its distinct aromatic properties, 2-chloroacetophenone is employed as a flavoring agent in the food and beverage industry. It imparts a unique taste and aroma to various products, enhancing their overall sensory experience.
Used in Organic Synthesis:
Ethanone, 2-chloro-1-(3,4-dimethylphenyl)(9CI) serves as an important intermediate in organic synthesis, enabling the production of a wide range of chemical compounds. Its reactivity and functional groups make it a valuable component in the synthesis of various organic molecules.
Used in Chemical Warfare Agents:
Although its use in this context is concerning, 2-chloroacetophenone is utilized in the development of chemical warfare agents due to its irritant properties. It can cause severe discomfort and incapacitation when used in such applications.
Used as a Tear Gas:
Due to its ability to cause irritation to the skin, eyes, and respiratory system, 2-chloroacetophenone is used as a tear gas in crowd control and riot management situations. Its pungent odor and irritant nature make it an effective tool for dispersing crowds and maintaining public order.
It is crucial to handle Ethanone, 2-chloro-1-(3,4-dimethylphenyl)(9CI) with caution, as it can cause irritation to the skin, eyes, and respiratory system. Proper safety measures and protective equipment should be employed when working with Ethanone, 2-chloro-1-(3,4-dimethylphenyl)- (9CI) to minimize potential health risks.

Check Digit Verification of cas no

The CAS Registry Mumber 50690-08-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,0,6,9 and 0 respectively; the second part has 2 digits, 0 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 50690-08:
(7*5)+(6*0)+(5*6)+(4*9)+(3*0)+(2*0)+(1*8)=109
109 % 10 = 9
So 50690-08-9 is a valid CAS Registry Number.
InChI:InChI=1/C10H11ClO/c1-7-3-4-9(5-8(7)2)10(12)6-11/h3-5H,6H2,1-2H3

50690-08-9Relevant academic research and scientific papers

A pyridazinone compounds and its synthetic method (by machine translation)

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Page/Page column 6; 7; 8; 10; 11; 12; 13; 14; 15, (2018/09/28)

The invention relates to a pyridazinone compounds and its synthetic method, said compound of the general formula as follows: Wherein R1 As the C1 - C4 alkyl or halogen; R2 As the C1 - C4 alkyl or halogen; R3 Straight chain aliphatic amine or cyclic amine or c mercapto or aromatic methoxy; R4 Is halogen or c mercapto; at the time of preparation, first halo acetyl halogen reaction with benzene process fu - grams of synthetic α - halogenated acetophenone, with 4, 5 - dichloro - 3 (2 H) - pyridazinone substitution reaction synthetic intermediates, the generated intermediate under the catalysis of the alkaline reagent, with nucleophiles such as amines or cyclic aliphatic amine or propanethiol undergo the substitution reaction synthesis pyridazinone compounds. Compared with the prior art, the present invention the entire process is simple, and good repeatability, and is simple, wide range of application, it has very good application prospect. (by machine translation)

Chalcone-Benzotriazole Conjugates as New Potential Antimicrobial Agents: Design, Synthesis, Biological Evaluation and Synergism with Clinical Drugs

Liu, Hanbo,Gopala, Lavanya,Avula, Srinivasa Rao,Jeyakkumar, Ponmani,Peng, Xinmei,Zhou, Chenghe,Geng, Rongxia

, p. 483 - 496 (2017/04/27)

A series of chalcone-benzotriazole conjugates as new potential antimicrobial agents were synthesized and characterized by 1H NMR, 13C NMR, IR and HRMS spectra. Antimicrobial assay manifested that some target compounds gave moderate to good antibacterial and antifungal activities. The N-1 derived benzotriazole 5e and N-2 derived benzotriazole 6a exhibited valuable inhibitory efficacy against some tested strains. Especially, derivative 6a gave superior antifungal efficacies against C. utilis, S. cerevisiae and A. flavus (MIC=0.01, 0.02, 0.02 μmol/mL, respectively) to Fluconazole. The drug combination of compound 5e or 6a with antibacterial Chloromycin, Norfloxacin and antifungal Fluconazole respectively showed stronger antimicrobial efficiency with less dosage and broader antimicrobial spectrum than their separated use alone. The preliminary interaction with calf thymus DNA revealed that compound 6a could intercalate into DNA to form 6a-DNA supramolecular complex which might be a factor to exert its powerful bioactivity. Molecular docking study indicated strong binding of compound 6a with DNA gyrase. The structural parameters such as molecular orbital energy and molecular electrostatic potential of compound 6a were also investigated, which provided better understanding for its good antimicrobial activity.

Synthesis and biological evaluation of α-triazolyl chalcones as a new type of potential antimicrobial agents and their interaction with calf thymus DNA and human serum albumin

Yin, Ben-Tao,Yan, Cong-Yan,Peng, Xin-Mei,Zhang, Shao-Lin,Rasheed, Syed,Geng, Rong-Xia,Zhou, Cheng-He

, p. 148 - 159 (2014/01/06)

A series of α-triazolyl chalcones were efficiently synthesized. Most of the prepared compounds showed effective antibacterial and antifungal activities. Noticeably, α-triazolyl derivative 9a exhibited low MIC value of 4 μg/mL against MRSA and Micrococcus luteus, which was comparable or even superior to reference drugs. The further research revealed that compound 9a could effectively intercalate into Calf Thymus DNA to form 9a-DNA complex which might block DNA replication to exert their powerful antimicrobial activities. Competitive interactions between 9a and metal ions to Human Serum Albumin (HSA) suggested the participation of Fe3+, K+ and Mg 2+ ions in 9a-HSA system could increase the concentration of free 9a, shorten its storage time and half-life in the blood, thus improving its antimicrobial efficacy.

Chloroacetylation of arenes using chloroacetyl chloride in the presence of FeCl3 modified montmorillonite K10

Paranjape, Tejashri B.,Gokhale, Geetanjali D.,Samant, Shriniwas D.

, p. 310 - 314 (2008/09/20)

Chloroacetylation reaction of arenes using chloroacetyl chloride has been studied in the presence of Fe-modified montmorillonite K10 catalysts in a liquid phase. The catalysts have been prepared by treating montmorillonite K10 with aqueous solution of FeCl3. Good yields and selectivity are observed for the acylated product.

Antimony(V) chloride-benzyltriethylammonium chloride complex as an efficient catalyst for friedel-crafts acylation reactions

Huang, An-Ping,Liu, Xue-Yuan,Li, Lian-Hua,Wu, Xiao-Li,Liu, Wei-Min,Liang, Yong-Min

, p. 599 - 602 (2007/10/03)

A novel catalytic system, the complex of antimony(V) chloride (SbCl 5) and benzyltriethylammonium chloride (TEBA), C6H 5CH2NEt3(SbCl5)2Cl complex, is described for Friedel-Crafts acylation reactions of aromatics with acyl and sulfonyl chlorides. The catalyst has a number of useful characteristics, such as ready access, minimal toxicity, reusability, insensitivity to atmosphere and moisture, rapid acylation with high yield, and ease of operation.

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