Phthalide (Standard)

CAT: 0804-HY-W015820R-03Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-W015820R-03Size:50 mg

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Description

Phthalide (Standard) is an analytical standard of Phthalide. This product is intended for research and analytical applications. Phthalide is a chemical scaffold. Phthalide can be used to synthesize a variety of phthalate derivatives, including anti-inflammatory agents, antimicrobial agents, antioxidants and blood-tumor barrier regulators[1][2][3][4].

CAS Number

87-41-2

UNSPSC

12352005

Target

Bacterial; Biochemical Assay Reagents; Reference Standards

Related Pathways

Anti-infection; Others

Field of Research

Cancer; Infection; Inflammation/Immunology; Cardiovascular Disease

Purity

90.000000

Smiles

O=C1OCC2=C1C=CC=C2

Molecular Formula

C8H6O2

Molecular Weight

134.13

References & Citations

[1]Liu Zeng Chen, et al. Novel phthalide derivatives: Synthesis and anti-inflammatory activity in vitro and in vivo. Eur J Med Chem. 2020 Nov 15;206:112722.|[2]Chakapong Intaraudom, et al. Antimicrobial drimane - phthalide derivatives from Hypoxylon fendleri BCC32408. Fitoterapia. 2019 Oct;138:104353.|[3]Xin Fang, et al. Synthesis of phthalide derivatives and evaluation on their antiplatelet aggregation and antioxidant activities. J Asian Nat Prod Res. 2020 Dec;22 (12) :1176-1187.

Shipping Conditions

Blue Ice

Storage Conditions

-20°C, 3 years (Powder)

Scientific Category

Reference Standards

Chemical Information

Phthalide

2-benzofuran-1(3H)-one is a gamma-lactone that is 1,3-dihydro-2-benzofuran in which the hydrogens at position 1 are replaced by an oxo group. It is a gamma-lactone and a member of 2-benzofurans.

CAS Number	87-41-2
PubChem CID	6885
IUPAC Name	3H-2-benzofuran-1-one
Molecular Formula	C8H6O2
Molecular Weight	134.13
XLogP	0.8
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	153

SMILES

C1C2=CC=CC=C2C(=O)O1

InChI

InChI=1S/C8H6O2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4H,5H2

InChIKey

WNZQDUSMALZDQF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 87-41-2

CID: 6885

Formula: C8H6O2

MW: 134.13

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	134.13
XLogP3	0.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	134.036779430
Monoisotopic Mass	134.036779430
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	153
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

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