Phthalide-3-Acetic Acid

Base Information

• Chemical Name: Phthalide-3-Acetic Acid
• CAS No.: 4743-58-2
• Molecular Formula: C10H8O4
• Molecular Weight: 192.171
• Hs Code.: 2932209090
• European Community (EC) Number: 676-486-9
• UNII: DVW805XX2D
• DSSTox Substance ID: DTXSID60343440
• Nikkaji Number: J2.041.168F
• Mol file: 4743-58-2.mol

Synonyms:4743-58-2;Phthalide-3-Acetic Acid;2-(3-oxo-1,3-dihydroisobenzofuran-1-yl)acetic acid;2-(3-oxo-1H-2-benzofuran-1-yl)acetic acid;(3-Oxo-1,3-dihydro-2-benzofuran-1-yl)acetic acid;3-Phthalideacetic acid;Butylphthalide metabolite M1;DVW805XX2D;1,3-Dihydro-3-oxo-1-isobenzofuranacetic acid;UNII-DVW805XX2D;2-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetic acid;1-Isobenzofuranacetic acid, 1,3-dihydro-3-oxo-;(3-Oxo-1,3-dihydro-isobenzofuran-1-yl)-acetic acid;MFCD00051729;Benzenepropanoic acid, 2-carboxy-beta-hydroxy-, gamma-lactone;Phthalidineacetic acid;Oprea1_136485;Oprea1_857835;SCHEMBL4899583;DTXSID60343440;HMS1682L03;STR04790;AKOS000273597;AKOS016040536;1(3H)-Isobenzofuranone-3-acetic acid;CS-0253927;FT-0635422;1,3-Dihydro-3-oxoisobenzofuran-1-acetic acid;EN300-17885;VU0433153-2;(3-Oxo-1,3-dihydro-2-benzofuran-1-yl)aceticacid;A827226;Z57055800;F3284-8018;BENZENEPROPANOIC ACID, 2-CARBOXY-.BETA.-HYDROXY-, .GAMMA.-LACTONE

Chemical Property of Phthalide-3-Acetic Acid

Chemical Property:

• Vapor Pressure: 1.6E-08mmHg at 25°C
• Melting Point: 151-152 °C
• Refractive Index: 1.586
• Boiling Point: 440.1 °C at 760 mmHg
• Flash Point: 184.1 °C
• PSA: 63.60000
• Density: 1.389 g/cm³
• LogP: 1.37280
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 192.04225873
• Heavy Atom Count: 14
• Complexity: 261

Purity/Quality:

99% ^*data from raw suppliers

2-(3-Oxo-1,3-dihydro-2-benzofuran-1-yl)aceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(OC2=O)CC(=O)O

Technology Process of Phthalide-3-Acetic Acid

There total 22 articles about Phthalide-3-Acetic Acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 81.0%

1-methoxy-2-naphthaldehyde tosylhydrazone → (3-oxo-1,3-dihydroisobenzofuran-1-yl)acetic acid (4743-58-2) + (E)-o-carboxycinnamic acid (18454-53-0) + 1-methoxy-2-naphthoic acid (883-21-6)

Guidance literature:

With poly(bis-1,2-diphenylene) diselenide; dihydrogen peroxide; In tetrahydrofuran; water; for 20h; Heating;

Reference yield: 66.0%

1-hydroxy-2-naphthaldehyde (574-96-9) → (3-oxo-1,3-dihydroisobenzofuran-1-yl)acetic acid (4743-58-2) + (E)-o-carboxycinnamic acid (18454-53-0)

Guidance literature:

With poly(bis-1,2-diphenylene) diselenide; dihydrogen peroxide; In tetrahydrofuran; water; for 20h; Heating;

Reference yield: 63.0%

1-hydroxy-2-naphthaldehyde tosylhydrazone → (3-oxo-1,3-dihydroisobenzofuran-1-yl)acetic acid (4743-58-2) + (E)-o-carboxycinnamic acid (18454-53-0)

Guidance literature:

With poly(bis-1,2-diphenylene) diselenide; dihydrogen peroxide; In tetrahydrofuran; water; for 20h; Heating;

upstream raw materials:

(Z)-3-(2-cyanophenyl)prop-2-enoic acid

malonic acid

o-carboxybenzaldehyde

hydrogenchloride

Downstream raw materials:

2-(2-carboxyethyl)benzoic acid

methyl 2-(3-oxo-1,3-dihydroisobenzofuran-1-yl)acetate

Refernces

• 1、 Giurg,Syper,Mlochowski. "Hydrogen peroxide oxidation of naphthalene derivatives catalyzed by poly (bis-1,2-diphenylene) diselenide". . p. 231 - 238. Retrieved 2007/10/03.