7a-Methyl-3-phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1(3H)-one

Base Information

Chemical Name:7a-Methyl-3-phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1(3H)-one
CAS No.:87923-90-8
Molecular Formula:C15H16O2
Molecular Weight:228.291
Hs Code.:
DSSTox Substance ID:DTXSID00527429

Synonyms:87923-90-8;DTXSID00527429;7a-Methyl-3-phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1(3H)-one

Suppliers and Price of 7a-Methyl-3-phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1(3H)-one

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

Total 0 raw suppliers

Chemical Property of 7a-Methyl-3-phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1(3H)-one

Chemical Property:

XLogP3:3.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:228.115029749
Heavy Atom Count:17
Complexity:341

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC12CC=CCC1C(OC2=O)C3=CC=CC=C3

Technology Process of 7a-Methyl-3-phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1(3H)-one

There total 5 articles about 7a-Methyl-3-phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1(3H)-one 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: 94.0%

: 87923-89-5
trans-4-methyl-5-benzoylcyclohexene-4-carboxylic acid

: 87923-90-8
(3aR,7aS)-7a-Methyl-3-phenyl-3a,4,7,7a-tetrahydro-3H-isobenzofuran-1-one

Guidance literature:: With diisobutylaluminium hydride; In hexane; toluene; at -78 ℃; for 4h;
DOI:10.1021/ja00364a031

Reference yield:

: 23402-69-9
lithium diphenylcuprate

: 87923-90-8
(3aR,7aS)-7a-Methyl-3-phenyl-3a,4,7,7a-tetrahydro-3H-isobenzofuran-1-one

Guidance literature:: Multi-step reaction with 3 steps

1: 11.5 g / tetrahydrofuran / 1 h / -78 °C

2: 4.5 percent / Zn-Ag / methanol; diethyl ether / 18 h

3: 94 percent / diisobutylaluminum hydride / hexane; toluene / 4 h / -78 °C

With silver; diisobutylaluminium hydride; zinc; In tetrahydrofuran; methanol; diethyl ether; hexane; toluene;
DOI:10.1021/ja00364a031

Reference yield:

: 53777-68-7,87982-77-2
(1S,2R,4R,5R)-4-Bromo-1-methyl-7-oxo-6-oxa-bicyclo[3.2.1]octane-2-carboxylic acid

: 87923-90-8
(3aR,7aS)-7a-Methyl-3-phenyl-3a,4,7,7a-tetrahydro-3H-isobenzofuran-1-one

Guidance literature:: Multi-step reaction with 4 steps

1: SOCl₂ / benzene / 3 h / Heating

2: 11.5 g / tetrahydrofuran / 1 h / -78 °C

3: 4.5 percent / Zn-Ag / methanol; diethyl ether / 18 h

4: 94 percent / diisobutylaluminum hydride / hexane; toluene / 4 h / -78 °C

With thionyl chloride; silver; diisobutylaluminium hydride; zinc; In tetrahydrofuran; methanol; diethyl ether; hexane; toluene; benzene;
DOI:10.1021/ja00364a031