1197040-29-1

Basic information

• Product Name: phenyl isocyanate
• Synonyms: phenyl isocyanate
• CAS NO: 1197040-29-1
• Molecular Weight: 103.123
• Mol File: 1197040-29-1.mol
• Article Data: 72

Chemical Properties

• CAS DataBase Reference: phenyl isocyanate(CAS DataBase Reference)
• NIST Chemistry Reference: phenyl isocyanate(1197040-29-1)
• EPA Substance Registry System: phenyl isocyanate(1197040-29-1)

Safety Data

• Hazardous Substances Data: 1197040-29-1(Hazardous Substances Data)

Upstream product

• 120-72-9 indole 
• 586-96-9 Nitrosobenzene 
• 108017-59-0 phenyl-(1H-[1,2,3]triazol-4-yl)-amine 
• 64-17-5 ethanol 
• 52826-25-2 3-benzo[1,3]dioxol-5-yl-acrylaldehyde-(N-phenyl oxime ) 
• 54901-99-4 N-phenacyl-N-phenylbenzamide 
• 141-52-6 sodium ethanolate 
• 98-95-3 nitrobenzene 
• 864131-95-3 N,N'-diphenylformamidine 
• 98-09-9 benzenesulfonyl chloride 
• 622-16-2 1,3-Diphenylcarbodiimide 
• 6780-49-0 ethyl N-phenylformimidate 
• 75-15-0 carbon disulfide 
• 74586-02-0 phenylnitrene anion radical 

Downstream Products

• 69962-52-3 5-anilinomethylenebarbituric acid 
• 2563-99-7 N-phenyl-2,2-dichloroacetamide 
• 861357-55-3 3,3,3-trichloro-2-hydroxy-propionic acid anilide 
• 872277-05-9 1-(1,2-bis-phenylimino-ethyl)-[2]naphthol 
• 103-84-4 Acetanilid 
• 1071209-63-6 α-acetoxy-β-chloro-isobutyric acid anilide 
• 1071108-62-7 α-benzoyloxy-β-chloro-isobutyric acid anilide 
• 861316-04-3 1-benzoyloxy-3-methyl-cyclohexanecarboxylic acid anilide 
• 56436-67-0 2-morpholin-4-yl-N-phenyl-acetimidic acid butyl ester 
• 61707-49-1 7-benzoyl-5,6-diphenyl-2-phenylimino-1-oxa-5-aza-spiro[2.4]hept-6-en-4-one 
• 61707-50-4 7-benzoyl-6-phenyl-2-phenylimino-5-p-tolyl-1-oxa-5-aza-spiro[2.4]hept-6-en-4-one 
• 30698-14-7 N-(N'-Phenylformimidoyl)N-allylformamid 
• 20841-15-0 2,3,3-tributyl-1,5-bis-(4-chloro-phenyl)-4-phenyl-[1,4,2]diazaborolidine 

Relevant articles and documents

SmI2 Promoted Coupling Reaction of Isocyanates to Oxamides

Oxamides were obtained in moderate to good yields by the reaction of isocyanates with the SmI2/HMPA/THF system under mild conditions.The system also caused desulfurization of isothiocyanates to give isocyanides in good yields.

Revisited Mechanistic Implications of the Joullié-Ugi Three-Component Reaction

The effect of the solvent on the diastereoselectivity of the Joullié-Ugi three-component reaction (JU-3CR) using an α-substituted five-membered cyclic imine is revisited. The cis and trans isomers were generated in toluene and HFIP, respectively. Hammett

A new Method for the Reduction of Isocyanates to Isocyanides

Both diphenyl-t-butylsilyl-lithium and trichlorosilane-triethylamine reduce isocyanates to isocyanides in high yield under mild conditions.

Small molecule microarray identifies inhibitors of tyrosyl-DNA phosphodiesterase 1 that simultaneously access the catalytic pocket and two substrate binding sites

Tyrosyl-DNA phosphodiesterase 1 (TDP1) is a member of the phospholipase D family of enzymes, which catalyzes the removal of both 3′- and 5′-DNA phosphodiester adducts. Importantly, it is capable of reducing the anticancer effects of type I topoisomerase (TOP1) inhibitors by repairing the stalled covalent complexes of TOP1 with DNA. It achieves this by promoting the hydrolysis of the phosphodiester bond between the Y723 residue of human TOP1 and the 3′-phosphate of its DNA substrate. Blocking TDP1 function is an attractive means of enhancing the efficacy of TOP1 inhibitors and overcoming drug resistance. Previously, we reported the use of an X-ray crystallographic screen of more than 600 fragments to identify small molecule variations on phthalic acid and hydroxyquinoline motifs that bind within the TDP1 catalytic pocket. Yet, the majority of these compounds showed limited (millimolar) TDP1 inhibitory potencies. We now report examining a 21?000-member library of drug-like Small Molecules in Microarray (SMM) format for their ability to bind Alexa Fluor 647 (AF647)-labeled TDP1. The screen identified structurally similarN,2-diphenylimidazo[1,2-a]pyrazin-3-amines as TDP1 binders and catalytic inhibitors. We then explored the core heterocycle skeleton using one-pot Groebke-Blackburn-Bienayme multicomponent reactions and arrived at analogs having higher inhibitory potencies. Solving TDP1 co-crystal structures of a subset of compounds showed their binding at the TDP1 catalytic site, while mimicking substrate interactions. Although our original fragment screen differed significantly from the current microarray protocol, both methods identified ligand-protein interactions containing highly similar elements. Importantly inhibitors identified through the SMM approach show competitive inhibition against TDP1 and access the catalytic phosphate-binding pocket, while simultaneously providing extensions into both the substrate DNA and peptide-binding channels. As such, they represent a platform for further elaboration of trivalent ligands, that could serve as a new genre of potent TDP1 inhibitors.

Synthesis and Properties of N,N′-Disubstituted Ureas and Their Isosteric Analogs Containing Polycyclic Fragments: XI. 1-[(Adamantan-1 yl)alkyl]-3-arylselenoureas

Abstract: A series of N,N′-disubstituted selenoureas containing an adamantane fragmenthave been synthesized in 23–75% yields. Procedures for the isolation andpurification of aromatic isoselenocyanates have been improved. The chemicalshift of the C=Se carbon nucleus in the 13C NMRspectra of selenoureas has been refined. The synthesized selenoureas have beenfound to be promising as inhibitors of not only epoxide hydrolase (sEH-H) butalso phosphatase domains (sEH-P) of human soluble epoxide hydrolase.