5899-19-4

Basic information

• Product Name: 2-[(2-iodobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
• Synonyms: 2-[(2-Iodobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid; 3-Thiophenecarboxylic acid, 2-[(2-iodobenzoyl)amino]-4,5-dimethyl-
• CAS NO: 5899-19-4
• Molecular Formula: C₁₃H₁₈O
• Molecular Weight: 401.2195
• Mol File: 5899-19-4.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 433.8°C at 760 mmHg
• Flash Point: 216.2°C
• Density: 1.783g/cm³
• Vapor Pressure: 2.7E-08mmHg at 25°C
• Refractive Index: 1.718
• CAS DataBase Reference: 2-[(2-iodobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 2-[(2-iodobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid(5899-19-4)
• EPA Substance Registry System: 2-[(2-iodobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid(5899-19-4)

Safety Data

• Hazardous Substances Data: 5899-19-4(Hazardous Substances Data)

Usage

General Description

2-[(2-iodobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid is a complex chemical compound containing a thiophene ring. It consists of a benzoyl group and an amino group attached to the thiophene ring, as well as an iodine atom bonded to the benzoyl group. Additionally, it contains a carboxylic acid group attached to the thiophene ring. 2-[(2-iodobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid may have potential pharmaceutical and medicinal applications due to its structural features and functional groups, which could be targeted for specific biological interactions. It is important to handle and use this chemical compound with care due to its complex structure and potential biological activity.

Upstream product

• 24195-35-5 2-<2-Hydroxy-benzyl>-1-semicarbazono-cyclohexan 
• 18066-52-9 cyclohexyl(2-hydroxyphenyl)methanone 
• 92300-32-8 1-(cyclohexylmethyl)-2-methoxybenzene 
• 2043-61-0 cyclohexanecarbaldehyde 
• 108-95-2 phenol 
• 110-82-7 cyclohexane 
• 1745-81-9 o-Allylphenol 
• 3137-39-1 bis(2-oxocyclohexyl)methane 
• 3954-12-9 phenyl cyclohexanecarboxylate 
• 2719-27-9 cyclohexanylcarbonyl chloride 
• 135-02-4 ortho-anisaldehyde 
• 931-50-0 cyclohexylmagnesium bromide 
• 578-57-4 2-bromoanisole 

Downstream Products

• 54954-57-3 1-bromo-4-(cyclohexylmethoxy)benzene 
• 1542756-10-4 ethyl 2-(1,1'-biphenyl-3-cyclohexylmethyl-4'-[2-(dimethylamino)ethoxy]-4-oxy) acetate 
• 1542756-13-7 ethyl 2-(1,1'-biphenyl-3'-cyclohexylmethyl-4'-[2-(dimethylamino)ethoxy]-4-oxy) acetate 
• 1542756-15-9 ethyl 2-(1,1'-biphenyl-3,3'-(cyclohexylmethyl)-4'-[2-(dimethylamino)ethoxy]-4-oxy) acetate 
• 1243432-33-8 4-Bromo-2-(cyclohexylmethyl)phenol 
• 1542755-50-9 2-(cyclohexylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol 
• 1542755-61-2 ethyl 2-(4-bromo-2-(cyclohexylmethyl)phenoxy)acetate 
• 1542755-81-6 ethyl 2-(1,1'-biphenyl-3-cyclohexylmethyl-4'-ol-4-oxy) acetate 
• 1542755-83-8 ethyl 2-(1,1'-biphenyl-3'-cyclohexylmethyl-4'-ol-4-oxy) acetate 
• 1542755-85-0 ethyl 2-(1,1'-biphenyl-3,3'-di(cyclohexylmethyl)-4'-ol-4-oxy) acetate 

Relevant articles and documents

4,4′-Unsymmetrically substituted 3,3′-biphenyl alpha helical proteomimetics as potential coactivator binding inhibitors

A series of unsymmetrically substituted biphenyl compounds was designed as alpha helical proteomimetics with the aim of inhibiting the binding of coactivator proteins to the nuclear hormone receptor coactivator binding domain. These compounds were synthes

Photoreactions of trans-1-o-Hydroxyphenyl-2-phenylcyclopropane

The photochemistry of trans-1-o-hydroxyphenyl-2-phenylcyclopropane, trans-1, was studied under a variety of experimental conditions. Direct irradiation through quartz in cyclohexane gave rise mainly to ring-expanded products, 2-phenyl-3,4-dihydro-2H-benzopyran, 2, 2-benzyl-2,3-dihydrobenzofuran, 3, and 1-o-hydroxyphenylindan, 4. The major products, 2 and 3, are rationalized by intramolecular proton transfer. However, a significant fraction of 3 is formed via ring-opening to cinnamylphenol, 5. An additional product, o-(α-cyclohexylmethyl)phenol, 7, suggests fragmentation of trans-1 and (formal) insertion of o-hydroxyphenylcarbene into cyclohexane. Direct irradiation in methanol produced methanol adducts 8 and 9 instead of 2, 3,4, or 7. Finally, acetone-sensitized irradiation of trans-1 resulted in geometric isomerization to cis-1; this result can be rationalized via a biradical intermediate.

Photochemistry of o-Allylphenol. Identification of the Minor Products and New Mechanistic Proposals

The photochemistry of o-allylphenol (1) in cyclohexane has been reinvetigated.Besides the previously reported cyclic ethers 2 and 3, seven additional minor photoproducts have been detected.Spectroscopic methods, coupled with independent synthesis, have allowed their identification as 2-methylbenzofuran (5), o-propylphenol (8), the epoxide 4, the dihydroxy compound 9, the cyclohexyl ether 6, o-(cyclohexylmethyl)phenol (10), and the dimer 7.Their formation is rationalized through new mechanistic pathways, which involve initial intermolecular electron and/or proton transfer between two molecules of o-allylphenol, as well as di-?-methane rearrangement.Key intermediates appear to be radical V, carbenium ion IX, and carbene XI.This is supported by photolysis of o-allylphenyl acetate (11), which leads to the formation of a radical pair, followed by in cage recombination to the photo-Fries products 12 and 13 or, alternatively, diffusion of the radicals out of the solvent cage to afford the minor products 2, 5, and 6, identical to those obtained by photolysis of 1.