(3aR,7aS)-3a-Phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione

Base Information

Chemical Name:(3aR,7aS)-3a-Phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
CAS No.:64504-91-2
Molecular Formula:C₁₄H₁₂O₃
Molecular Weight:228.247
Hs Code.:
DSSTox Substance ID:DTXSID40506677
Wikidata:Q82362534

Synonyms:64504-91-2;DTXSID40506677;(3aR,7aS)-3a-Phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione

Suppliers and Price of (3aR,7aS)-3a-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:

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Total 0 raw suppliers

Chemical Property of (3aR,7aS)-3a-Phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione

Chemical Property:

XLogP3:2.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:228.078644241
Heavy Atom Count:17
Complexity:379

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C=CCC2(C1C(=O)OC2=O)C3=CC=CC=C3
Isomeric SMILES:C1C=CC[C@@]2([C@H]1C(=O)OC2=O)C3=CC=CC=C3

Technology Process of (3aR,7aS)-3a-Phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione

There total 2 articles about (3aR,7aS)-3a-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: 92.0%

: 36122-35-7
2-phenylmaleic anhydride

: 106-99-0,130983-70-9,29406-96-0,9003-17-2
buta-1,3-diene

: 64504-91-2,87923-79-3
cis-4-phenylcyclohexene-4,5-dicarboxylic acid anhydride

Guidance literature:: With hydroquinone; In 1,4-dioxane; at 160 ℃; for 24h;
DOI:10.1021/ja00364a031

Reference yield:

: 635-51-8,10424-29-0
2-phenylsuccinic acid

: 64504-91-2,87923-79-3
cis-4-phenylcyclohexene-4,5-dicarboxylic acid anhydride

Guidance literature:: Multi-step reaction with 2 steps

1: 94.3 percent / SeO₂ / acetic anhydride / 12 h / Heating

2: 92 percent / hydroquinone / dioxane / 24 h / 160 °C

With selenium(IV) oxide; hydroquinone; In 1,4-dioxane; acetic anhydride;
DOI:10.1021/ja00364a031