Pyridine-3,4-dicarboxylic Anhydride

Product Information

Molecular Formula:
C7H3NO3
Molecular Weight:
149.10
Description
Pyridine-3,4-dicarboxylic Anhydride (CAS# 4664-08-8) is an intermediate used to prepare Pixantrone (P552500, dimaleate salt) which is an antineoplastic drug belonging to group of antitumor antibiotics.
Synonyms
furo[3,4-c]pyridine-1,3-dione; furo[3,4-c]pyridine-1,3-dione
IUPAC Name
furo[3,4-c]pyridine-1,3-dione
Canonical SMILES
C1=CN=CC2=C1C(=O)OC2=O
InChI
InChI=1S/C7H3NO3/c9-6-4-1-2-8-3-5(4)7(10)11-6/h1-3H
InChI Key
KFKMGUPDWTWQFM-UHFFFAOYSA-N
Boiling Point
334.6 °C at 760 mmHg
Melting Point
75-77 °C (lit.)
Flash Point
Not applicable
Purity
97 %
Density
1.556 g/cm3
LogP
0.39220

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
0.2
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
0
Exact Mass
149.011292958 g/mol
Monoisotopic Mass
149.011292958 g/mol
Topological Polar Surface Area
56.3Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
214
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-113354579-A High-yield synthesis method of 4-amino methyl nicotinate 2021-07-15
CN-113463398-A Preparation method of black hole external composite functional powder and textile after-finishing liquid 2021-07-06
CN-113839088-A Electrolyte for lithium ion battery and lithium ion battery 2020-06-23
WO-2021259202-A1 Lithium ion battery and electrolyte for use therein 2020-06-23
WO-2021231998-A1 High-temperature, thermally-insulative laminates including aerogel layers 2020-05-15
WO-2021232001-A1 Low-dielectric constant, low-dissipation factor laminates including aerogel layers 2020-05-15
WO-2021217073-A2 Air permeable filter material comprising a polymer aerogel 2020-04-24
WO-2021194908-A1 Modified dipeptide cleavases, uses thereof and related kits 2020-03-24
US-2021174983-A1 Compositions for the filling of high aspect ratio vertical interconnect access (via) holes 2019-12-04
WO-2021112933-A1 Compositions for the filling of high aspect ratio vertical interconnect access (via) holes 2019-12-04
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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