5-Bromoisatoic anhydride
Product Information
Molecular Formula
C8H4BrNO3
Molecular Weight
242.02
Description
5-Bromoisatoic anhydride is an intriguing chemical compound extensively employed in the biomedical industry and manifests tremendous potential in synthesizing pharmaceutical drugs and unraveling the intricate mechanisms of diverse diseases. By virtue of its distinctive structural properties and unmatched reactivity, this compound has emerged as a pivotal intermediate in the realm of pharmaceutical synthesis, presenting promising avenues for targeted therapeutics against specific maladies.
Synonyms
5-Bromoisatoic anhydride
IUPAC Name
6-bromo-1H-3,1-benzoxazine-2,4-dione
SMILES
C1=CC2=C(C=C1Br)C(=O)OC(=O)N2
InChI
InChI=1S/C8H4BrNO3/c9-4-1-2-6-5(3-4)7(11)13-8(12)10-6/h1-3H,(H,10,12)
InChI Key
DXSMYDSFWCOSFM-UHFFFAOYSA-N
Melting Point
280-285 °C (dec.) (lit.)
Flash Point
Not applicable
Purity
97%(HPLC)
Density
1.826 g/cm3
Appearance
Off-white to salmon powder
Safety Information
Hazards
H312 + H332 - H315 - H319 - H335 - H360
Precautionary Statement
P201 - P280 - P302 + P352 + P312 - P304 + P340 + P312 - P305 + P351 + P338 - P308 + P313
Computed Properties
XLogP3
1.7
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
0
Exact Mass
240.93746 g/mol
Monoisotopic Mass
240.93746 g/mol
Topological Polar Surface Area
55.4Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
256
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| WO-2021262684-A1 | METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION | 2020-06-22 |
| WO-2021253087-A1 | Novel antibacterial hydrogels | 2020-06-17 |
| WO-2021226206-A2 | Cannabinoid receptor type 2 (cb2) modulators and uses thereof | 2020-05-05 |
| WO-2021194908-A1 | Modified dipeptide cleavases, uses thereof and related kits | 2020-03-24 |
| WO-2021105115-A1 | Substituted aminoquinolones as dgkalpha inhibitors for immune activation | 2019-11-28 |
| WO-2021105117-A1 | Substituted aminoquinolones as dgkalpha inhibitors for immune activation | 2019-11-28 |
| WO-2021096948-A1 | Allosteric egfr inhibitors and methods of use thereof | 2019-11-11 |
| CN-110372611-B | Method for selectively synthesizing polysubstituted dihydro quinazolinone or quinazolinone | 2019-07-24 |
| CN-110283192-B | Preparation method and application of tryptanthrin derivative containing boric acid | 2019-07-18 |
| WO-2020263164-A1 | Compounds targeting dual g-quadruplex dna and stat3 | 2019-06-24 |
