3,7a-Dimethyl-1-phenyl-1,3,3a,4,7,7a-hexahydro-2-benzofuran-1-ol

Base Information

Chemical Name:3,7a-Dimethyl-1-phenyl-1,3,3a,4,7,7a-hexahydro-2-benzofuran-1-ol
CAS No.:87923-19-1
Molecular Formula:C16H20O2
Molecular Weight:244.334
Hs Code.:
DSSTox Substance ID:DTXSID80526733

Synonyms:87923-19-1;DTXSID80526733;3,7a-Dimethyl-1-phenyl-1,3,3a,4,7,7a-hexahydro-2-benzofuran-1-ol

Suppliers and Price of 3,7a-Dimethyl-1-phenyl-1,3,3a,4,7,7a-hexahydro-2-benzofuran-1-ol

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

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Chemical Property of 3,7a-Dimethyl-1-phenyl-1,3,3a,4,7,7a-hexahydro-2-benzofuran-1-ol

Chemical Property:

XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:244.146329876
Heavy Atom Count:18
Complexity:345

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1C2CC=CCC2(C(O1)(C3=CC=CC=C3)O)C

Technology Process of 3,7a-Dimethyl-1-phenyl-1,3,3a,4,7,7a-hexahydro-2-benzofuran-1-ol

There total 5 articles about 3,7a-Dimethyl-1-phenyl-1,3,3a,4,7,7a-hexahydro-2-benzofuran-1-ol 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: 83.0%

: 591-51-5
phenyllithium

: 87923-17-9,87923-28-2
(3aR,7aS)-3,7a-Dimethyl-3a,4,7,7a-tetrahydro-3H-isobenzofuran-1-one

: 87923-19-1
(3aS,7aR)-3,7a-Dimethyl-1-phenyl-1,3,3a,4,7,7a-hexahydro-isobenzofuran-1-ol

Guidance literature:: In diethyl ether; benzene; at -78 ℃; for 0.5h;
DOI:10.1021/ja00364a030

Reference yield:

: 87923-15-7
trans-4-methyl-5-acetylcyclohexene-4-carboxylic acid

: 87923-19-1
(3aS,7aR)-3,7a-Dimethyl-1-phenyl-1,3,3a,4,7,7a-hexahydro-isobenzofuran-1-ol

Guidance literature:: Multi-step reaction with 2 steps

1: 67 percent / NaBH₄, NaHCO₃ / H₂O / 1 h / Ambient temperature

2: 83 percent / diethyl ether; benzene / 0.5 h / -78 °C

With sodium tetrahydroborate; sodium hydrogencarbonate; In diethyl ether; water; benzene;
DOI:10.1021/ja00364a030

Reference yield:

: 87923-13-5
(1S,2R,4R,5R)-2-Acetyl-4-bromo-1-methyl-6-oxa-bicyclo[3.2.1]octan-7-one

: 87923-19-1
(3aS,7aR)-3,7a-Dimethyl-1-phenyl-1,3,3a,4,7,7a-hexahydro-isobenzofuran-1-ol

Guidance literature:: Multi-step reaction with 3 steps

1: 72 percent / Zn / acetic acid / 24 h / 50 °C

2: 67 percent / NaBH₄, NaHCO₃ / H₂O / 1 h / Ambient temperature

3: 83 percent / diethyl ether; benzene / 0.5 h / -78 °C

With sodium tetrahydroborate; sodium hydrogencarbonate; zinc; In diethyl ether; water; acetic acid; benzene;
DOI:10.1021/ja00364a030