Methyl (3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetate

Base Information

• Chemical Name: Methyl (3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetate
• CAS No.: 3453-60-9
• Molecular Formula: C₁₁H₁₀O₄
• Molecular Weight: 206.198
• DSSTox Substance ID: DTXSID20389147
• Nikkaji Number: J2.142.294K
• Mol file: 3453-60-9.mol

Synonyms:3453-60-9;(3-Oxo-1,3-dihydro-isobenzofuran-1-yl)-acetic acid methyl ester;methyl (3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetate;Methyl 2-(3-oxo-1,3-dihydroisobenzofuran-1-yl)acetate;1-Isobenzofuranaceticacid, 1,3-dihydro-3-oxo-, methyl ester;methyl 2-(3-oxo-1H-2-benzofuran-1-yl)acetate;BAS 00226219;Methyl Phthalide-3-acetate;TimTec1_007141;SCHEMBL7403091;DTXSID20389147;AONLBLBMUXAMBP-UHFFFAOYSA-N;HMS1554E13;STK370163;AKOS000601913;AKOS022067933;AC-17759;SR-01000316218;SR-01000316218-1;methyl 2-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetate;1,3-Dihydro-3-oxoisobenzofuran-1-acetic acid methyl ester

Chemical Property of Methyl (3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetate

Chemical Property:

• Vapor Pressure: 8.85E-05mmHg at 25°C
• Refractive Index: 1.539
• Boiling Point: 340°C at 760 mmHg
• Flash Point: 173.9°C
• Density: 1.26g/cm³
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 206.05790880
• Heavy Atom Count: 15
• Complexity: 274

Purity/Quality:

(3-OXO-1,3-DIHYDRO-ISOBENZOFURAN-1-YL)-ACETIC ACID METHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CC1C2=CC=CC=C2C(=O)O1

Technology Process of Methyl (3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetate

There total 18 articles about Methyl (3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetate 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: 90.0%

(E)-methyl 3-(2-formylphenyl)acrylate (52753-91-0,132316-45-1) → methyl 2-(3-oxo-1,3-dihydroisobenzofuran-1-yl)acetate (3453-60-9)

Guidance literature:

With 2-mesityl-2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triazolium chloride; triethylamine; In toluene; at 80 ℃; for 24h;

DOI:10.1039/c3ob42546k

Reference yield: 82.0%

ortho-carboxybenzenediazonium tetrafluoroborate (14783-89-2) + acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) → methyl 2-(3-oxo-1,3-dihydroisobenzofuran-1-yl)acetate (3453-60-9)

Guidance literature:

With palladium diacetate; triethylamine; In ethanol; at 80 ℃; regioselective reaction; Air atmosphere;

DOI:10.1016/j.tetlet.2011.09.014

Reference yield: 68.0%

(3-oxo-1,3-dihydroisobenzofuran-1-yl)acetic acid (4743-58-2) + dimethyl sulfate (77-78-1) → methyl 2-(3-oxo-1,3-dihydroisobenzofuran-1-yl)acetate (3453-60-9)

Guidance literature:

With potassium carbonate; In acetone; for 5h; Heating;

upstream raw materials:

methanol

2-carboxycinnamic acid

(E)-3-(2-Cyanophenyl)-2-propenoyl chloride

acrylic acid methyl ester