Dimethyl 4-methoxy benzylidene malonate

Inquiry

Molecular Formula:

C13H14O5

Molecular Weight:

250.24726

CAS Number:

7443-25-6

Catalog Number:

7443-25-6

Product Information

Molecular Formula:

C13H14O5

Molecular Weight:

250.24726

Description

Dimethyl 4-methoxy benzylidene malonate is a widely studied chemical compound in the biomedical sector, exhibits tremendous potential as a therapeutic agent for managing diverse ailments. Research indicates that its application in drug development, targeting precise enzymes or receptors implicated in cancer, inflammation, and neurological disorders, holds significant prospects. This compound, owing to its inherent properties, offers a promising avenue for addressing multifarious maladies persisting in the human body.

Synonyms

dimethyl (p-methoxybenzylidene)malonate; Propanedioic acid, (4-methoxyphenyl)methylene-, dimethyl ester; HOSTAVINPR-25; DIMETHYL(PARA-METHOXYBENZYLIDENE)MALONATE; 4-Methoxybenzylidene malonic acid dimethyl ester

IUPAC Name

dimethyl 2-[(4-methoxyphenyl)methylidene]propanedioate

Canonical SMILES

COC1=CC=C(C=C1)C=C(C(=O)OC)C(=O)OC

InChI

InChI=1S/C13H14O5/c1-16-10-6-4-9(5-7-10)8-11(12(14)17-2)13(15)18-3/h4-8H,1-3H3

InChI Key

JMFYZMAVUHNCPW-UHFFFAOYSA-N

Boiling Point

130 °C/0.04 mmHg

Melting Point

59 °C

Purity

>98.0%(GC)

Appearance

White to Almost white powder to crystal

Computed Properties

XLogP3

2.5

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

250.08412354 g/mol

Monoisotopic Mass

250.08412354 g/mol

Topological Polar Surface Area

61.8Å²

Heavy Atom Count

Formal Charge

Complexity

308

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
CN-114058271-A	Adhesive film with different UV absorption wave bands and preparation method thereof	2021-12-22
JP-2021080483-A	Complex	2021-03-04
CN-112143155-A	Plastic additive and production process thereof	2020-09-28
WO-2022036044-A1	Olefinic compositions comprising hydrocarbon resins	2020-08-13
WO-2022002787-A1	Coatings from polyisocyanurate coatings (rim) and their use in injection molding processes	2020-07-02
WO-2021259825-A1	Polymerisable liquid crystal material and polymerised liquid crystal film	2020-06-23
EP-3923064-A1	Electrochromic solution	2020-06-12
WO-2021250114-A1	Electrochromic solution	2020-06-12
JP-2021187863-A	Polycarbonate resin composition and its molded products	2020-05-25
WO-2021226430-A1	Norbornene esters as comonomers for thermoset articles	2020-05-07

Literatures

PMID	Publication Date	Title	Journal
22985959	2012-10-15	Selection, synthesis, and anti-inflammatory evaluation of the arylidene malonate derivatives as TLR4 signaling inhibitors	Bioorganic & medicinal chemistry
5453	1976-05-25	Affinity labeling of a previously undetected essential lysyl residue in class I fructose bisphosphate aldolase	The Journal of biological chemistry

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