3-Hydroxyphthalic Anhydride

Product Information

Molecular Formula:
C8H4O4
Molecular Weight:
164.11
Description
3-Hydroxyphthalic Anhydride (CAS# 37418-88-5) is used to synthesize 3-Hydroxyphthalic Anhydride-modified human serum albumin whichhas high potency as a microbicide for prevention of the sexual transmission of HIV. It is also used as a reagent in organicsynthesis of other compounds including that of inhibitors of NF-κB derived from thalidomide.
Synonyms
4-hydroxyisobenzofuran-1,3-dione; 4-hydroxy-2-benzofuran-1,3-dione
IUPAC Name
4-hydroxy-2-benzofuran-1,3-dione
Canonical SMILES
C1=CC2=C(C(=C1)O)C(=O)OC2=O
InChI
InChI=1S/C8H4O4/c9-5-3-1-2-4-6(5)8(11)12-7(4)10/h1-3,9H
InChI Key
CCTOEAMRIIXGDJ-UHFFFAOYSA-N
Boiling Point
365.4 °C at 760 mmHg
Melting Point
199-202 °C (lit.)
Purity
98 %
Density
1.625 g/cm3
LogP
0.70280

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

Computed Properties

XLogP3
1.5
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
0
Exact Mass
164.01095860 g/mol
Monoisotopic Mass
164.01095860 g/mol
Topological Polar Surface Area
63.6Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
235
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-113925168-A Application of EGCG quinone as inhibitor for resisting AGEs (angiotensin-converting enzyme) release in gastrointestinal tract 2021-10-28
CN-113979996-A Phthalimide fluorescent probe for detecting copper ions, preparation method and application thereof, and copper ion detection method 2021-10-27
CN-113686828-A CdTe quantum dot-based ratiometric fluorescent probe and application thereof in hydrazine hydrate detection 2021-08-25
CN-113171445-A Modified beta-lactoglobulin and biological preparation for preventing and treating HPV (human papillomavirus) virus infection 2021-04-30
CN-112891520-A Preparation method of active biological protein for preventing and controlling Human Papilloma Virus (HPV) infection 2021-04-13
CN-112980194-A LED packaging material and preparation method thereof 2021-03-04
CN-112999358-A Bioactive protein for preventing and treating human papilloma virus infection, preparation method and application thereof 2021-03-04
TW-I739715-B Polyimide resin composition, polyimide resin adhesive layer, laminate, and manufacturing method of electronic component 2021-02-26
CN-112500570-A Flexible display device, polyamic acid varnish for display, and polyimide film 2021-02-04
CN-112500570-B Flexible display device, polyamic acid varnish for display, and polyimide film 2021-02-04

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
21764688 2011-06-01 [Antiviral activity of 3-hydroxyphthalic anhydride-modified ovalbumin against herpes simplex virus 2 in vitro] Nan fang yi ke da xue xue bao = Journal of Southern Medical University
21239999 2011-04-15 Combinations of 3-hydroxyphthalic anhydride-modified ovalbumin with antiretroviral drug-based microbicide candidates display synergistic and complementary effects against HIV-1 infection Journal of acquired immune deficiency syndromes (1999)
20420669 2010-04-26 Maleic anhydride-modified chicken ovalbumin as an effective and inexpensive anti-HIV microbicide candidate for prevention of HIV sexual transmission Retrovirology
12834857 2003-06-01 The antiviral activity of naturally occurring proteins and their peptide fragments after chemical modification Antiviral research
11388489 2001-04-01 7-Hydroxyphthalide: a new natural salicylaldehyde analog from Oulenzia sp. (Astigmata: Winterschmitiidae) Bioscience, biotechnology, and biochemistry
11272824 2001-01-01 Synthesis of corollosporine, an antibacterial metabolite of the marine fungus Corollospora maritima Bioscience, biotechnology, and biochemistry
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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