5-Phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione

Base Information

Chemical Name:5-Phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
CAS No.:6337-27-5
Molecular Formula:C14H12O3
Molecular Weight:228.247
Hs Code.:
NSC Number:38050
DSSTox Substance ID:DTXSID60284622

Synonyms:6337-27-5;5-phenyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione;5-Phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione;NSC38050;SCHEMBL8532632;DTXSID60284622;JKYWPOLMZPJQML-UHFFFAOYSA-N;NSC-38050;1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-5-phenyl-;5-Phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione #

Suppliers and Price of 5-Phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-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
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price

Total 5 raw suppliers

Chemical Property of 5-Phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione

Chemical Property:

Vapor Pressure:1.14E-09mmHg at 25°C
Boiling Point:417.2°Cat760mmHg
Flash Point:205.8°C
Density:1.266g/cm³
XLogP3:1.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:228.078644241
Heavy Atom Count:17
Complexity:377

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C=C(CC2C1C(=O)OC2=O)C3=CC=CC=C3

Technology Process of 5-Phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione

There total 17 articles about 5-Phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-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: 79.0%

: 108-31-6
maleic anhydride

: 1515-78-2
buta-1,3-dien-1-ylbenzene

: 6337-27-5
4-Phenylcyclohex-4-ene-1,2-carboxylic anhydride

Guidance literature:: In toluene; at 80 ℃; for 8h; Inert atmosphere; Schlenk technique;
DOI:10.1016/j.catcom.2013.06.023

Reference yield: 70.0%

: 108-31-6
maleic anhydride

: 2288-18-8
2-phenyl-1,3-butadiene

: 6337-27-5
4-Phenylcyclohex-4-ene-1,2-carboxylic anhydride

Guidance literature:: In xylene; for 1h;

Reference yield:

: 767-99-7,768-00-3,2082-61-3
2-phenylbut-2-ene

: 6337-27-5
(+/-)-4-phenyl-cyclohex-4-ene-1r,2c-dicarboxylic acid-anhydride

Guidance literature:: Multi-step reaction with 3 steps

1: tetrachloromethane; bromine

2: ethanolic KOH / 100 °C / Leiten des Reaktionsprodukts bei 380grad ueber BaCl₂

With tetrachloromethane; potassium hydroxide; bromine;