86791-02-8

Basic information

• Product Name: diethyl [4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butyl]phosphonate
• CAS NO: 86791-02-8
• Molecular Formula: C₁₆H₂₂NO₅P
• Molecular Weight: 339.3233
• Mol File: 86791-02-8.mol
• Article Data: 11

Chemical Properties

• Boiling Point: 472°C at 760 mmHg
• Flash Point: 239.3°C
• Density: 1.229g/cm³
• Vapor Pressure: 4.44E-09mmHg at 25°C
• Refractive Index: 1.528
• CAS DataBase Reference: diethyl [4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butyl]phosphonate(CAS DataBase Reference)
• NIST Chemistry Reference: diethyl [4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butyl]phosphonate(86791-02-8)
• EPA Substance Registry System: diethyl [4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butyl]phosphonate(86791-02-8)

Safety Data

• Hazardous Substances Data: 86791-02-8(Hazardous Substances Data)

Upstream product

• 63075-66-1 diethyl (4-bromobutyl)phosphonate 
• 1074-82-4 potassium phtalimide 
• 136918-14-4 phthalimide 
• 125331-01-3 1-iodo-4-(diethylphosphono)butane 
• 79293-84-8 N-(tert-butyldimethylsilyl)phthalimide 
• 5394-18-3 2-(4-bromobutyl)isoindoline-1,3-dione 
• 122-52-1 triethyl phosphite 

Downstream Products

• 405116-85-0 [4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-butyl]-phosphonic acid ethyl ester 4-nitro-phenyl ester 
• 405116-91-8 4-cyanophenyl ethyl 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butylphosphonate 
• 35622-27-6 4-aminobutylphosphonic acid 

Relevant articles and documents

PHOSPHORUS FUNCTIONAL ANTIMICROBIAL COATINGS FOR METAL SURFACES

The invention relates to quaternary ammonium multi-dentate mono-, bis-, tris- and tetrakis-phosphonate compounds, processes for preparing quaternary ammonium multi-dentate mono-, bis-, tris- and tetrakis-phosphonate compounds, antimicrobial coating compositions comprising quaternary ammonium multi-dentate mono-, bis-, tris- and tetrakis-phosphonate compounds and method of treating a surface with said compositions to provide a durable, antimicrobial-treated surface.

Studies on the synthesis of a chiral salen Mn (III) complex immobilised onto zirconium aminophosphonates and catalytic asymmetric epoxidation of α-methylstyrene

A chiral salen Mn (III) complex has been immobilised onto zirconium aminophosphonates by axial coordination with different linkage arm lengths (CH2)n (n = 2-6), to give a series of heterogeneous catalysts. The catalysts exhibited good to excellent catalytic efficiency in the asymmetric epoxidation of α-methylstyrene. One heterogeneous catalyst, with n = 6, gave higher catalytic properties than the original chiral salen Mn (III) complex in the NaClO/PPNO system. It can be easily recovered and reused several times without significant loss of activity.

Virtual screening, selection and development of a benzindolone structural scaffold for inhibition of lumazine synthase

Virtual screening of a library of commercially available compounds versus the structure of Mycobacterium tuberculosis lumazine synthase identified 2-(2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamido)acetic acid (9) as a possible lead compound. Compound 9 proved to be an effective inhibitor of M. tuberculosis lumazine synthase with a Ki of 70 μM. Lead optimization through replacement of the carboxymethylsulfonamide sidechain with sulfonamides substituted with alkyl phosphates led to a four-carbon phosphate 38 that displayed a moderate increase in enzyme inhibitory activity (Ki 38 μM). Molecular modeling based on known lumazine synthase/inhibitor crystal structures suggests that the main forces stabilizing the present benzindolone/enzyme complexes involve π-π stacking interactions with Trp27 and hydrogen bonding of the phosphates with Arg128, the backbone nitrogens of Gly85 and Gln86, and the side chain hydroxyl of Thr87.