4,5,6,7-Tetrahydro-4,7-ethanoisobenzofuran-1,3-dione

Base Information

Chemical Name:4,5,6,7-Tetrahydro-4,7-ethanoisobenzofuran-1,3-dione
CAS No.:151813-29-5
Molecular Formula:C₁₀H₁₀O₃
Molecular Weight:178.188
Hs Code.:2932999099
European Community (EC) Number:681-446-9
DSSTox Substance ID:DTXSID00566212
Wikidata:Q82451716
Mol file:151813-29-5.mol

Synonyms:151813-29-5;4,5,6,7-Tetrahydro-4,7-ethanoisobenzofuran-1,3-dione;BICYCLO[2.2.2]OCT-2-ENE-2,3-DICARBOXYLIC ANHYDRIDE;4-oxatricyclo[5.2.2.02,6]undec-2(6)-ene-3,5-dione;4,7-Ethanoisobenzofuran-1,3-dione, 4,5,6,7-tetrahydro-;ZECOOENHOVXEDD-UHFFFAOYSA-N;SCHEMBL346764;DTXSID00566212;MFCD01318101;AKOS027320893;SY101185;A856064;4,5,6,7-Tetrahydro-4,7-ethano-2-benzofuran-1,3-dione

Suppliers and Price of 4,5,6,7-Tetrahydro-4,7-ethanoisobenzofuran-1,3-dione

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Crysdot
4,5,6,7-Tetrahydro-4,7-ethanoisobenzofuran-1,3-dione 95+%
1g
$ 180.00

American Custom Chemicals Corporation
4,5,6,7-TETRAHYDRO-4,7-ETHANOISOBENZOFURAN-1,3-DIONE 95.00%
5MG
$ 502.43

Total 10 raw suppliers

Chemical Property of 4,5,6,7-Tetrahydro-4,7-ethanoisobenzofuran-1,3-dione

Chemical Property:

Vapor Pressure:0.000102mmHg at 25°C
Melting Point:158-160°C
Refractive Index:1.572
Boiling Point:337.9°Cat760mmHg
Flash Point:164.6°C
PSA：43.37000
Density:1.34g/cm³
LogP:1.18640
Sensitive.:Moisture Sensitive
Water Solubility.:Insoluble in water.
XLogP3:1.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:178.062994177
Heavy Atom Count:13
Complexity:300

Purity/Quality:

97% ^*data from raw suppliers

4,5,6,7-Tetrahydro-4,7-ethanoisobenzofuran-1,3-dione 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.;
Hazard Codes:R36/37/38:Irritating to eyes, respiratory system and skin.;
Statements: 36/37/38
Safety Statements: 26-36/37/39

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CC2CCC1C3=C2C(=O)OC3=O

Technology Process of 4,5,6,7-Tetrahydro-4,7-ethanoisobenzofuran-1,3-dione

There total 8 articles about 4,5,6,7-Tetrahydro-4,7-ethanoisobenzofuran-1,3-dione 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: 92.0%

: Bicyclo<2.2.2>oct-2-ene-2,3-dicarboxylic acid

: 151813-29-5
Bicyclo<2.2.2>oct-2-ene-2,3-dicarboxylic anhydride

Guidance literature:: With acetic anhydride; at 100 ℃; for 1.5h;

Reference yield: 81.0%

: 108-31-6
maleic anhydride

: 1165952-91-9
cyclohexa-1,3-diene

: 151813-29-5
Bicyclo<2.2.2>oct-2-ene-2,3-dicarboxylic anhydride

Guidance literature:: In chloroform; at 0 - 20 ℃; Darkness;

Reference yield:

: 1165952-91-9
cyclohexa-1,3-diene

: 151813-29-5
Bicyclo<2.2.2>oct-2-ene-2,3-dicarboxylic anhydride

Guidance literature:: Multi-step reaction with 4 steps

1.1: tetrahydrofuran / 18 h / 60 °C

2.1: palladium on activated charcoal; hydrogen / ethyl acetate / 2 h

3.1: sodium hydroxide; water / methanol / 8 h / 60 °C

3.2: pH 1

4.1: acetic anhydride / 1.5 h / 100 °C

With palladium on activated charcoal; water; hydrogen; acetic anhydride; sodium hydroxide; In tetrahydrofuran; methanol; ethyl acetate;