(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

N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide
N-(3-(5-(2-hydroxyphenyl)-1-(thiophene-2-carbonyl)-4,5-dihydro-1H-pyrazol-3-yl)phenyl)methanesulfonamide
N-(1-cyano-4-methylcyclohexyl)-N-methyl-2-(4-phenylpiperazin-1-yl)acetamide
2-{[4,5-bis(thiophen-2-yl)-1H-imidazol-2-yl]sulfanyl}-N-(1-cyanocyclohexyl)acetamide
(3,6-Dihydro-4-phenyl-1(2H)-pyridinyl)[5-[(hexahydro-1H-azepin-1-yl)sulfonyl]-2-methoxyphenyl]methanone
6-chloro-N-{4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl}pyridine-3-carboxamide
CID 16399450
2-Bromo-N-(1-(furan-2-yl)ethyl)benzamide
(3-Bromoprop-2-EN-1-YL)benzene
2-methyl-N-[4-(1H-tetrazol-1-yl)phenyl]benzamide