Home Other Building Blocks Isatoic anhydride

Isatoic anhydride

CAS No.:
118-48-9
Catalog Number:
AG00351G
Molecular Formula:
C8H5NO3
Molecular Weight:
163.1302
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
97%
In Stock USA
United States
$13
- +
25g
97%
In Stock USA
United States
$19
- +
100g
97%
In Stock USA
United States
$50
- +
500g
95%
In Stock USA
United States
$118
- +
Product Description
Catalog Number:
AG00351G
Chemical Name:
Isatoic anhydride
CAS Number:
118-48-9
Molecular Formula:
C8H5NO3
Molecular Weight:
163.1302
MDL Number:
MFCD00006700
IUPAC Name:
1H-3,1-benzoxazine-2,4-dione
InChI:
InChI=1S/C8H5NO3/c10-7-5-3-1-2-4-6(5)9-8(11)12-7/h1-4H,(H,9,11)
InChI Key:
TXJUTRJFNRYTHH-UHFFFAOYSA-N
SMILES:
O=c1oc(=O)c2c([nH]1)cccc2
EC Number:
204-255-0
UNII:
R8TFA74Y4U
Properties
Complexity:
226  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.027g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
163.132g/mol
Monoisotopic Mass:
163.027g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Literature
Title Journal
A new cascade reaction: concurrent construction of six and five membered rings leading to novel fused quinazolinones. Organic & biomolecular chemistry 20120421
Palladium-catalyzed decarboxylative coupling of isatoic anhydrides with arylboronic acids. Organic letters 20111118
Interaction of N-methyl-2-alkenyl-4-quinolones with ATP-dependent MurE ligase of Mycobacterium tuberculosis: antibacterial activity, molecular docking and inhibition kinetics. The Journal of antimicrobial chemotherapy 20110801
Synthesis of N-substituted 2-[(1E)-alkenyl]-4-(1H)-quinolone derivatives as antimycobacterial agents against non-tubercular mycobacteria. European journal of medicinal chemistry 20110601
1,3-Dipolar cycloaddition-decarboxylation reactions of an azomethine ylide with isatoic anhydrides: formation of novel benzodiazepinones. Organic letters 20110204
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Synthesis of 2,3-dihydroquinazolin-4(1H)-ones by three-component coupling of isatoic anhydride, amines, and aldehydes catalyzed by magnetic Fe(3)O(4) nanoparticles in water. Journal of combinatorial chemistry 20100913
Novel and efficient one-pot tandem synthesis of 2-styryl-substituted 4(3H)-quinazolinones. Journal of combinatorial chemistry 20080101
Fluorous reagents and scavengers versus solid-supported reagents and scavengers, a reaction rate and kinetic comparison. Molecular diversity 20050101
Hydrogen-bonding in 2-aminobenzoyl-alpha-chymotrypsin formed by acylation of the enzyme with isatoic anhydride: IR and mass spectroscopic studies. Chembiochem : a European journal of chemical biology 20020104
Properties