99960-09-5 Usage
Description
2-Ethoxycarbonylphenyl isothiocyanate, with the molecular formula C11H9NO2S, is a chemical compound that serves as a versatile building block in organic synthesis. It is recognized for its reactivity with amines and amino acids, leading to the formation of thiourea derivatives. These derivatives have garnered interest due to their potential antimicrobial and antifungal properties. Additionally, 2-Ethoxycarbonylphenyl isothiocyanate plays a role in the development of pharmaceuticals, agrochemicals, fluorescent dyes, and polymers. Due to its irritant nature to skin and eyes, it requires careful handling and adherence to safety protocols.
Uses
Used in Organic Synthesis:
2-Ethoxycarbonylphenyl isothiocyanate is used as a building block in organic synthesis for the preparation of various biologically active molecules, contributing to the development of new compounds with potential applications in medicine and other fields.
Used in Pharmaceutical Development:
In the pharmaceutical industry, 2-Ethoxycarbonylphenyl isothiocyanate is utilized as a key intermediate in the synthesis of drugs, leveraging its reactivity to form thiourea derivatives with potential therapeutic properties.
Used in Agrochemical Production:
2-Ethoxycarbonylphenyl isothiocyanate is employed in the creation of agrochemicals, where its ability to form active thiourea derivatives can be harnessed for applications in pest and disease control in agriculture.
Used in Fluorescent Dyes and Polymers:
2-ETHOXYCARBONYLPHENYL ISOTHIOCYANATE is also used as a precursor in the development of fluorescent dyes and polymers, where its chemical properties can be exploited to create materials with specific optical characteristics for use in research and industry.
Check Digit Verification of cas no
The CAS Registry Mumber 99960-09-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 9,9,9,6 and 0 respectively; the second part has 2 digits, 0 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 99960-09:
(7*9)+(6*9)+(5*9)+(4*6)+(3*0)+(2*0)+(1*9)=195
195 % 10 = 5
So 99960-09-5 is a valid CAS Registry Number.
InChI:InChI=1/C10H9NO2S/c1-2-13-10(12)8-5-3-4-6-9(8)11-7-14/h3-6H,2H2,1H3
99960-09-5Relevant articles and documents
Isothiocyanation of amines using the Langlois reagent
Liao, Yan-Yan,Deng, Jian-Chao,Ke, Yan-Ping,Zhong, Xiao-Lin,Xu, Li,Tang, Ri-Yuan,Zheng, Wenxu
supporting information, p. 6073 - 6076 (2017/07/10)
The Langlois reagent was found to be effective for the isothiocyanation of primary amines in the presence of copper iodide and diethyl phosphonate.
Discovery of a novel 5-HT3 antagonist/5-HT1A agonist 3-amino-5,6,7,8-tetrahydro-2-{4-[4-(quinolin-2-yl)piperazin-1-yl]butyl} quinazolin-4(3 H)-one (TZB-30878) as an orally bioavailable agent for irritable bowel syndrome
Asagarasu, Akira,Matsui, Teruaki,Hayashi, Hiroyuki,Tamaoki, Satoru,Yamauchi, Yukinao,Minato, Kouichi,Sato, Michitaka
scheme or table, p. 7549 - 7563 (2010/12/30)
We have prepared a series of quinazolinone derivatives linked with piperazinylquinoline for the treatment of irritable bowel syndrome (IBS). Using pharmacophore analysis, we designed and synthesized compounds which bind to both serotonin receptor subtype 1A (5-HT1A) and subtype 3 (5-HT 3). Quinazolinone derivatives with a sulfur atom in the linker showed high affinity in in vitro assays, but low in vivo activity. Focusing on the linker to improve the pharmacokinetic profile, the sulfur atom in the linker was replaced with a methylene group. Further optimization led to the discovery of compound 17m (TZB-30878) (J. Pharmacol. Exp. Ther. 2007, 322, 1315 -1323, Patent WO2005082887 (A1), 2005), a novel 5-HT1A agonist/5-HT3 antagonist in the 3-aminoquinazolinone series. In in vivo functional assays, 17m dose dependently inhibited the Bezold-Jarisch reflex and induced 5-HT 1A-mediated behaviors, and in an IBS animal model, 17m significantly inhibited stress-induced defecation. Pretreatment by WAY-100635 (5-HT 1A antagonist) significantly attenuated but did not abolish the inhibitory effects of 17m. These results suggested that 17m exerted inhibitory effects via both 5-HT1A agonistic and 5-HT3 antagonistic activities and that 17m would be useful as a therapeutic agent for IBS.
