(3aR,7aS)-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-1-one

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Names

[ Name ]:
(3aR,7aS)-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-1-one

[Synonym ]:
cis-3-oxabicyclo[4.3.0]nonan-2-one
cis-8-oxabicyclo[4.3.0]nonan-7-one
hexahydro-isobenzo[c]furan-1-one
(3ar,7as)-hexahydro-2-benzofuran-1(3h)-one
(3aSR,7aRS)-hexahydroisobenzofuran-1-one
hexahydro-isobenzofuran-1(3H)-one
cis-hexahydroisobenzofuran-1(3H)-one
hexahydro-isobenzofuran-1-one

Chemical & Physical Properties

[ Density]:
1.093g/cm3

[ Boiling Point ]:
262.8ºC at 760mmHg

[ Molecular Formula ]:
C₈H₁₂O₂

[ Molecular Weight ]:
140.18000

[ Flash Point ]:
103.8ºC

[ Exact Mass ]:
140.08400

[ PSA ]:
26.30000

[ LogP ]:
1.34960

[ Index of Refraction ]:
1.483

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

1,3-Isobenzofurandione, hexahydro-, cis-
Lurasidone Impurity 7
Phthalide
1,2-Cyclohexanediyldimethanol
cis-methyl 2-(iodomethyl)-1-cyclohexanecarboxylate
2-Methylbenzoic acid
Ethyl 2-methylbenzoate

DownStream

2-(phenylsulfanylmethyl)cyclohexane-1-carboxylic acid
4,5,6,7-tetrahydro-3H-2-benzofuran-1-one
2-(phenoxymethyl)cyclohexane-1-carboxylic acid
methyl bicyclo[4.1.0]heptane-6-carboxylate

Related Compounds

2(3H)-Benzofuranone,hexahydro-, (3aR,7aS)-rel-
(3aR,7aS)-3a,4,5,6,7,7a-hexahydro-3H-1,3-benzoxazol-2-one
2-(Azetidin-2-yl)-5-bromophenol
2-(3-Tert-butylphenyl)piperidine
1-(2-Chloro-3-(trifluoromethyl)phenyl)propan-1-amine
3-Amino-3-[2-chloro-3-(trifluoromethyl)phenyl]propanenitrile
2-[2-Fluoro-3-(trifluoromethyl)phenyl]azetidine
2-[2-Fluoro-4-(trifluoromethyl)phenyl]azetidine
3-Amino-3-[2-fluoro-5-(trifluoromethyl)phenyl]propanenitrile
1-[4-(Pyrrolidin-1-YL)phenyl]prop-2-EN-1-amine
Benzenepropanenitrile, I(2)-amino-4-(1H-pyrazol-1-yl)-
2-[2-(Trifluoromethoxy)phenyl]azetidine

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