6069-01-8

Basic information

• Product Name: ethyl 5-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-2-[(4-methoxybenzoyl)amino]-4-methylthiophene-3-carboxylate
• Synonyms: 3-thiophenecarboxylic acid, 5-[[[2-chloro-5-(trifluoromethyl)phenyl]amino]carbonyl]-2-[(4-methoxybenzoyl)amino]-4-methyl-, ethyl ester; Ethyl 5-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-2-[(4-methoxybenzoyl)amino]-4-methylthiophene-3-carboxylate
• CAS NO: 6069-01-8
• Molecular Formula: C₂₄H₂₀ClF₃N₂O₅S
• Molecular Weight: 540.9392
• Mol File: 6069-01-8.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 531.4°C at 760 mmHg
• Flash Point: 275.2°C
• Density: 1.435g/cm³
• Vapor Pressure: 2.25E-11mmHg at 25°C
• Refractive Index: 1.615
• CAS DataBase Reference: ethyl 5-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-2-[(4-methoxybenzoyl)amino]-4-methylthiophene-3-carboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: ethyl 5-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-2-[(4-methoxybenzoyl)amino]-4-methylthiophene-3-carboxylate(6069-01-8)
• EPA Substance Registry System: ethyl 5-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-2-[(4-methoxybenzoyl)amino]-4-methylthiophene-3-carboxylate(6069-01-8)

Safety Data

• Hazardous Substances Data: 6069-01-8(Hazardous Substances Data)

Upstream product

• 18173-74-5 (2-methoxyethoxy)trimethylsilane 
• 109-86-4 2-methoxy-ethanol 

Relevant articles and documents

A 400- and 600-MHz 1H NMR conformational study on nucleoside cyclic 3',5' P(V)-TBP systems. Conformational transmission induces diequatorial orientation of the 3',5'-dioxaphosphorinane ring in a nonchair conformation

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UEBER DIE UMSETZUNG VON N- BZW. O-TRIMETHYLSILYLIERTEN DERIVATEN DES ETHANOLAMINS MIT PHOSPHOR(III)-HALOGEN-VERBINDUNGEN: INTRAMOLEKULARE DONATOR-AKZEPTOR-WECHSELWIRKUNGEN IN DEN VERBINDUNGEN CH3OCH2CH2N(CH3)PCl2, (CH3)2NCH2CH2OPCl2, (CH3)2NCH2CH2N(CH3)P(C6H5)2, ...

The reaction of MeOCH2CH2N(Me)SiMe3, Me2NCH2CH2OSiMe3, and Me2NCH2CH2N(Me)SiMe3 with PCl3, PhPCl2, and Ph2PCl was found to proceed with cleavage of the N-Si or O-Si bond and formation of the phosphorus(III) compounds, 3 to 8.In this series of, in part, novel phosphorus(III) compounds an intramolecular donor-acceptor interaction between NMe2 substituents and phosphorus has been observed which in the case of the product of the reaction of Me2NCH2CH2N(Me)SiMe3 with PCl3, led to a stable intramolecular complex CH2CH2N(Me)PCl>(1+)*Cl(1-), 3a.The reversibleformation of an intramolecular complex, as a function of temperature, has been observed for Me2NCH2CH2N(Me)P(Ph)Cl, 4 while no evidence for an intramolecular interaction was noted for compounds 5, 6 and 8.For compound 7, which is obtained as a solid an intramolecular interaction between phophorus and nitrogen seems likely in the solid state but cannot be observed by n.m.r. spectroscopy in solution in CDCl3.A single crystal X-ray structure determination for 3a has established its identity as an intramolecular complex.The X-ray structure determination proved the existence of a tricoordinate phosphorus atom with a rather short covalent P-N bond with a bond-distance of 162 pm and a short coordinative P-N bond of 184,2 pm.No interaction of the second chlorine with phosphorus was observed.