1(3H)-Isobenzofuranone, 3-hydroxy-

Base Information

• Chemical Name: 1(3H)-Isobenzofuranone, 3-hydroxy-
• CAS No.: 16859-59-9
• Molecular Formula: C8H6 O3
• Molecular Weight: 150.134
• Mol file: 16859-59-9.mol

Synonyms:1(3H)-Isobenzofuranone,3-hydroxy-, (?à)-;Phthalide, 3-hydroxy- (6CI,7CI,8CI); (?à)-3-Hydroxy-1(3H)-isobenzofuranone; (?à)-3-Hydroxyphthalide;3-Hydroxy-1(3H)-isobenzofuranone; 3-Hydroxybenzo[c]furan-1(3H)-one;3-Hydroxyphthalide

Chemical Property of 1(3H)-Isobenzofuranone, 3-hydroxy-

Chemical Property:

• Vapor Pressure: 6.84E-06mmHg at 25°C
• Melting Point: 97-98 °C
• Boiling Point: 362.6°Cat760mmHg
• PKA: 11.17±0.20(Predicted)
• Flash Point: 174°C
• PSA: 46.53000
• Density: 1.456g/cm³
• LogP: 0.84790
• Storage Temp.: 2-8°C
• Solubility.: soluble in Methanol

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Hydroxyisobenzofuran-1(3H)-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1(3H)-Isobenzofuranone, 3-hydroxy-

There total 31 articles about 1(3H)-Isobenzofuranone, 3-hydroxy- 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: 99.2%

3-Bromophthalide (6940-49-4) → 3-hydroxy-1(3H)-isobenzofuranone (16859-59-9)

Guidance literature:

With water monomer; at 100 ℃; for 3h;

Reference yield: 88.0%

phthalyl alcohol (612-14-6) → 2-benzofuran-1(3H)-one (87-41-2) + 3-hydroxy-1(3H)-isobenzofuranone (16859-59-9) + benzene-1,2-dicarboxylic acid (88-99-3,73607-73-5)

Guidance literature:

<(2,2'-bipyridine)(2,2':6',2''-terpyridine)RuO>2+; at 50 ℃; Yields of byproduct given; buffer: pH 6.8; electrooxidation;

DOI:10.1016/S0040-4020(01)87073-3

Reference yield: 81.0%

phthalic anhydride (85-44-9) + chloro-trimethyl-silane (75-77-4) → 3-hydroxy-1(3H)-isobenzofuranone (16859-59-9) + trimethylsilyloxyphthalide + 1,1'-Bis-trimethylsilanyloxy-1H,1'H-[1,1']biisobenzofuranyl-3,3'-dione (80522-53-8)

Guidance literature:

With tetraethylammonium chloride; In acetonitrile; Yields of byproduct given; electrochemical reduction, Hg-cathode;

DOI:10.1016/S0040-4039(01)81941-9

upstream raw materials:

phthalic anhydride

chloro-trimethyl-silane

N-phenyl-maleimide

1,3-bis-(trimethylsiloxy)-isobenzofuran

Downstream raw materials:

butylphthalide

N,N-bis<1''(3''H)-isobenzofuranon-3''-yl>-2-(4'-hydroxyphenyl)ethylamine

3-(phenylnitromethyl)-1(3H)-isobenzofuranone

3-<2-(2-nitrophenyl)-2-oxoethyl>isobenzofuran-1(3H)-one

Refernces

• 1、 Chen, Li,Lei, Zhichao,Sun, Jianbo,Sun, Xiaona,Wang, Yujin,Yue, Shasha. "Development of 5-hydroxyl-1-azabenzanthrone derivatives as dual binding site and selective acetylcholinesterase inhibitors". . . Retrieved 2022/03/27.
• 2、 -. "Oxoisoaporphine alkaloid derivative as well as preparation method and application thereof". Paragraph 0034-0037. . Retrieved 2021/08/19.