75746-71-3 Usage
Description
2-Ethyl-6-methylphenyl isocyanate, also known as 1-ethyl-2-isocyanato-3-methylbenzene, is an aryl isocyanate. It is a chemical compound that belongs to the class of isocyanates, which are characterized by the presence of an isocyanate functional group (-N=C=O). 2-ETHYL-6-METHYLPHENYL ISOCYANATE has a molecular formula of C10H11NO and a molecular weight of approximately 163.20 g/mol. It is an organic compound with a unique structure that includes an ethyl and a methyl group attached to a benzene ring, with an isocyanate group attached to the carbon atom at the 2nd position.
Uses
2-Ethyl-6-methylphenyl isocyanate has a variety of applications across different industries due to its unique chemical properties. Some of its uses include:
Used in Pharmaceutical Industry:
2-Ethyl-6-methylphenyl isocyanate is used as a chemical intermediate for the synthesis of various pharmaceutical compounds. Its reactive isocyanate group allows it to be used in the formation of urea and carbamate derivatives, which are important in the development of drugs with diverse therapeutic applications.
Used in Agrochemical Industry:
In the agrochemical industry, 2-Ethyl-6-methylphenyl isocyanate is used as a building block for the synthesis of various agrochemicals, such as pesticides and herbicides. Its ability to form stable derivatives makes it a valuable component in the development of effective and environmentally friendly agrochemical products.
Used in Polymer Industry:
2-Ethyl-6-methylphenyl isocyanate is used as a monomer in the synthesis of polyurethane polymers. These polymers have a wide range of applications, including flexible and rigid foams, adhesives, coatings, and elastomers. The unique properties of the isocyanate group enable the formation of polymers with excellent mechanical, thermal, and chemical resistance properties.
Used in Research and Development:
2-Ethyl-6-methylphenyl isocyanate is also used as a research chemical in academic and industrial laboratories. Its reactivity and unique structure make it an interesting compound for studying various chemical reactions and exploring new synthetic routes for the development of novel materials and compounds.
Check Digit Verification of cas no
The CAS Registry Mumber 75746-71-3 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,5,7,4 and 6 respectively; the second part has 2 digits, 7 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 75746-71:
(7*7)+(6*5)+(5*7)+(4*4)+(3*6)+(2*7)+(1*1)=163
163 % 10 = 3
So 75746-71-3 is a valid CAS Registry Number.
InChI:InChI=1/C10H11NO/c1-3-9-6-4-5-8(2)10(9)11-7-12/h4-6H,3H2,1-2H3
75746-71-3Relevant articles and documents
Palladium(0)-catalyzed carbon-Hydrogen bond functionalization for the synthesis of indoloquinazolinones
Tsukano, Chihiro,Okuno, Masataka,Nishiguchi, Hiromi,Takemoto, Yoshiji
supporting information, p. 1533 - 1538 (2014/06/09)
The indoloquinazolinone ring system has attracted considerable attention as a pharmacophore, because it shows various biological activities. The reported synthetic methods for the compound are simple and direct, but are not effective for the direct synthesis of indoloquinazolinone with a methylene group at the C-6 position. A palladium(0)-catalyzed cyclization of chloroquinazolinone via C-H functionalization was developed for a concise synthesis of indoloquinazolinone derivatives. The presence of a substituent at the C-6 position is important for obtaining the product in good yield. The conformation of the reaction intermediate, in particular the N-C-Pd bond angle, is important for the regioselectivity of the reaction.
Preparation of isocyanates from primary amines and carbon dioxide using Mitsunobu chemistry
Saylik, Dilek,Horvath, Michael J.,Elmes, Patricia S.,Jackson, W. Roy,Lovel, Craig G.,Moody, Keith
, p. 3940 - 3946 (2007/10/03)
Primary alkylamines 1 and hindered arylamines 1 give high yields of isocyanates 5 when reacted with carbon dioxide and the Mitsunobu zwitterions 4 generated from dialkyl azodicarboxylates and Bu3P in dichloromethane at - 78°C. Use of Ph3P still gave high yields of isocyanates from reactions of primary alkylamines, but only low yields were obtained from reactions of aromatic amines. Reactions which failed to give high yields of isocyanates gave either carbamoylhydrazines 6 and/or dicarbamoylhydrazines 10 and/or triazolinones 7. The triazolinones were shown to arise from reactions of reactive aryl isocyanates with the Mitsunobu zwitterion. The carbamoylhydrazines were shown not to arise from reaction of isocyanate with reduced dialkyl azodicarboxylates, and a mechanism for their formation is proposed. Single-crystal X-ray analyses confirmed the structures of 6, 7, and 10.
