3-Nitrophthalic Anhydride
Product Information
Molecular Formula
C8H3NO5
Molecular Weight
193.11
Description
An intermediate for the synthesis of a benzimidazole PARP inhibitor I (succinate salt) (ABT-472).
Synonyms
4-nitroisobenzofuran-1,3-dione; 4-nitro-2-benzofuran-1,3-dione
IUPAC Name
4-nitro-2-benzofuran-1,3-dione
SMILES
C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)OC2=O
InChI
InChI=1S/C8H3NO5/c10-7-4-2-1-3-5(9(12)13)6(4)8(11)14-7/h1-3H
InChI Key
ROFZMKDROVBLNY-UHFFFAOYSA-N
Boiling Point
411.8 °C at 760 mmHg
Melting Point
163-165 °C (lit.)
Flash Point
Not applicable
Purity
98 %
Density
1.687 g/cm3
Appearance
Yellow hygroscopic powder
LogP
1.42860
Safety Information
Hazards
H315 - H319 - H335
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning
QC Data
Computed Properties
XLogP3
1.1
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
0
Exact Mass
193.00112220 g/mol
Monoisotopic Mass
193.00112220 g/mol
Topological Polar Surface Area
89.2Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
307
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 |
|---|---|---|
| CN-113735828-A | Compound for targeted degradation of EGFR (epidermal growth factor receptor), and preparation method and application thereof | 2021-09-07 |
| CN-113416200-A | Bistable electrochromic fluoran dye and preparation method of device thereof | 2021-06-09 |
| CN-113429420-A | Preparation method of high-sensitivity temperature-sensing reversible color-changing microcapsule | 2021-06-09 |
| JP-2021047461-A | Photoreceptor for electrophotographic, its manufacturing method and electrophotographic equipment | 2020-12-23 |
| CN-112321550-A | Preparation method of aromatic diether dianhydride | 2020-11-05 |
| CN-112279767-A | Preparation method of diacerein | 2020-10-29 |
| RU-2747025-C1 | Method for producing 4-(or 5)-aminotetra-c1-c2-alkylrodamines | 2020-10-23 |
| RU-2747027-C1 | Method for producing mixture of 4(or 5)-nitrotetraethylrodamines | 2020-10-23 |
| JP-7008291-B1 | Mask cleaning method, cleaning liquid, cleaning equipment, and manufacturing method of organic devices | 2020-10-14 |
| CN-112079803-A | Synthesis method of 4-halogenated phthalic anhydride and derivatives thereof | 2020-09-11 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 22819190 | 2012-08-15 | Design and synthesis of marine fungal phthalide derivatives as PPAR-γ agonists | Bioorganic & medicinal chemistry |
| 22091134 | 2011-08-01 | 4-Nitro-N-phthalyl-l-tryptophan | Acta crystallographica. Section E, Structure reports online |
| 18313250 | 2008-07-15 | Analytical method for determination of allylic isoprenols in rat tissues by liquid chromatography/tandem mass spectrometry following chemical derivatization with 3-nitrophtalic anhydride | Journal of pharmaceutical and biomedical analysis |
| 17268092 | 2007-02-01 | Thalidomide analogs from diamines: Synthesis and evaluation as inhibitors of TNF-alpha production | Chemical & pharmaceutical bulletin |
