1122-85-6

Usage

Chemical Properties

Light Pink Oil

InChI:InChI=1/C7H5NO/c8-6-9-7-4-2-1-3-5-7/h1-5H

Upstream product

• 506-68-3 bromocyane 
• 108-95-2 phenol 
• 76347-03-0 3-methyl-4-(O-phenyloximino)isoxazol-5(4H)-one 
• 582-61-6 benzoyl azide 
• 859214-48-5 2-cyano-4,5-dichloropyridazin-3(2H)-one 
• 90368-32-4 2,2-dimethyl-1,3-dioxane-4,5,6-trione O-phenyloxime 
• 70989-49-0 2-thioxo-benzooxazole-3-carboximidic acid phenyl ester 
• 1483-72-3 diphenyliodonium chloride 

Downstream Products

• 20494-22-8 N-trimethylsilanyl-morpholine-4-carboximidic acid phenyl ester 
• 704-56-3 2-amino-5-(pyridin-4-yl)-1,3,4-oxadiazole 
• 61387-27-7 6-methyl-2-phenoxy-[1,3]oxazin-4-one 
• 4612-81-1 2-methyl-5-phenoxy-3-phenyl-2,3-dihydro-[1,2,4]oxadiazole 
• 53656-76-1 1-Cyclohexy-2,4-diphenyl-1-phenylcarbimidoyl-semicarbazid 
• 21563-32-6 1-Cyano-1-ethyl-2-phenyl-isoharnstoff 
• 3190-43-0 Semicarbazid-1,1-bis- 
• 1850-14-2 tetramethoxymethane 
• 40588-57-6 Kohlensaeurephenylester-methylester-imid 
• 1102-40-5 C₂₀H₂₆N₄O₂ 
• 25344-34-7 Phenyl N-(chlorocarbonyl)-1-chlorocarbonimidate 
• 25344-41-6 {[1-Chloro-1-phenoxy-meth-(Z)-ylidene]-amino}-oxo-acetyl chloride 
• 25344-38-1 N,N'-Bis-[1-chloro-1-phenoxy-meth-(Z)-ylidene]-oxalamide 
• 34197-71-2 Phenyl N-(benzhydryl)carbamate 

Related news

A comparison of the surface chemistry of phenyl cyanate (cas 1122-85-6) and phenol on Al(111)09/24/2019

The surface chemistry of phenyl cyanate and phenol on Al(111) was investigated by temperature-programmed desorption and X-ray photoelectron spectroscopy between 100 and 800 K. Chemisorption of the initial monolayer occurred via cleavage of the OCN bond for phenyl cyanate and the OH bond for ...detailed

Relevant academic research and scientific papers

Attempt to Synthesize Hindered 2,4,6-Tri-Aryloxy-s-Triazines: Bis(2,4-di-tert-Butylphenyl) Carbonate – Crystal Structure

Some less hindered 2,4,6-tri-aryloxy-s-triazines were synthesized through the reaction of the corresponding phenols as a starting materials with cyanogen bromide (BrCN) to obtain the corresponding arylcyanates and then trimerized. Unexpectedly, 2,4-di-tert-butyl-1-cyanatobenzene derived from 2,4-di-tert-butylphenol did not trimerize but, indeed, yielded bis(2,4-di-tert-butylphenyl) carbonate. The structures of 2,4,6-tri-aryloxy-s-triazines and bis(2,4-di-tert-butylphenyl) carbonate were characterized by means of IR, 1H, and 13C NMR spectroscopies. Also the structure of the latter compound was studied by X-ray crystallography.

Highly Enantioselective α-Cyanation with 4-Acetylphenyl Cyanate

A highly effective asymmetric version of α-cyanation of β-keto esters and amides was developed with a Lewis-acid catalyst. Thus, by using 10 mol % of a tridentate bisoxazoline–zinc(II) complex as the catalyst, a series of chiral nitriles containing a quaternary carbon center were obtained in excellent enantioselectivities (up to 97 % enantiomeric excess) and up to 95 % yield in the presence of 4 ? molar sieve at room temperature. For the first time, mild and active 4-acetylphenyl cyanate was used instead of cyano-hyperiodinate as the cationic cyano source for catalytic asymmetric α-cyanation.

Discovery of Fragment-Derived Small Molecules for in Vivo Inhibition of Ketohexokinase (KHK)

Increased fructose consumption and its subsequent metabolism have been implicated in hepatic steatosis, dyslipidemia, obesity, and insulin resistance in humans. Since ketohexokinase (KHK) is the principal enzyme responsible for fructose metabolism, identification of a selective KHK inhibitor may help to further elucidate the effect of KHK inhibition on these metabolic disorders. Until now, studies on KHK inhibition with small molecules have been limited due to the lack of viable in vivo pharmacological tools. Herein we report the discovery of 12, a selective KHK inhibitor with potency and properties suitable for evaluating KHK inhibition in rat models. Key structural features interacting with KHK were discovered through fragment-based screening and subsequent optimization using structure-based drug design, and parallel medicinal chemistry led to the identification of pyridine 12.

Oxidative rearrangement strategy for synthesis of 2,4,5-trisubstituted oxazoles utilizing hypervalent iodine reagent

Hypervalent iodine (III)-intermediated direct oxidative rearrangement of 3-hydroxybut-2-enimidates affording oxazoles under mild conditions has been developed. This protocol provides a new methodology to the synthesis of compounds containing oxazole structure.

Nucleophilic imidoesterification of dicarbonyl compounds with cyanatobenzenes through CC bond formation

Under neat conditions, an efficient method for synthesis of imidoesters has been developed using cyanatobenzenes and dicarbonyl compounds. Nucleophilic addition spontaneously occurred between the two kinds of materials at room temperature with yields of up to 90%. A mechanism directed towards to the imidoester formation has been proposed.

Synthesis and structure of substituted 5-phenoxy-1,2,4-dithiazole-3-ones

Seven new substituted 5-phenoxy-1,2,4-dithiazole-3-ones were prepared in modest yield (53-76%) from corresponding O-phenyl thiocarbamates and chlorocarbonylsulfenyl chloride in dry ether at-10 °C. All of the compounds were characterized by NMR and elemental analysis and some of them by X-ray diffraction. Preliminary kinetic measurements showed that the parent 5-phenoxy-1,2,4-dithiazole-3-one is a very efficient sulfurizing agent toward triphenyl phosphite. Copyright

PROCESSES FOR PREPARING JAK INHIBITORS AND RELATED INTERMEDIATE COMPOUNDS

The present invention is related to processes for preparing chiral substituted pyrazolyl pyrrolo[2,3-d]pyrimidines of Formula III, and related synthetic intermediate compounds. The chiral substituted pyrazolyl pyrrolo[2,3-d]pyrimidines are useful as inhibitors of the Janus Kinase family of protein tyrosine kinases (JAKs) for treatment of inflammatory diseases, myeloproliferative disorders, and other diseases.

Unexpected cyclotrimerization of phenyl cyanate; does Chapman rearrangement occurred in the mass spectrometric ionization of 2,4,6-triphenoxy-1,3,5-S- triazine?

Unexpected novel cyclotrimerization of phenyl cyanate gave 2,4,6-triphenoxy-1,3,5-s-triazine 3 with excellent yield. No special catalyst is used in this reaction!. The mass spectra of 3 is investigated and it shows some fragments generated by McLafferty and Chapman rearrangements.

Unprecedented chemistry of an aryloxychlorodiazirine: Generation of a dihalodiazirine and diazirinone

The reaction of p-nitrophenoxychlorodiazirine with tetrabutylammonium fluoride follows three channels: (1) ～17% of p-nitrophenoxide/fluoride exchange to chlorofluorodiazirine and p-nitrophenol, (2) ～28% of Cl/F exchange to p-nitrophenoxyfluorodiazirine, and (3) ～55% of ipso fluoride attack, affording p-nitrofluorobenzene and the previously unknown diazirinone (diazacyclopropenone). Copyright