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

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Names

[ CAS No. ]:
6939-71-5

[ 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-(2-(3-(thiophen-2-yl)-1H-pyrazol-1-yl)ethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
  • 6-(Propan-2-yloxy)pyridine-3-carboximidamide hydrochloride
  • N-[(1-methyl-1H-pyrrol-2-yl)methyl]-11-oxo-N-[(thiophen-2-yl)methyl]-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-triene-6-sulfonamide
  • 4-(3-Piperidin-1-ylprop-1-enyl)aniline
  • 3-Phenylpiperidine-2-carboxylic acid
  • 2-Chloro-3-((2-(piperidin-2-yl)ethoxy)methyl)pyrazine hydrochloride
  • (R)-4-chloro-6-(pyrrolidin-3-ylsulfonyl)pyrimidine hydrochloride
  • 4-Chloro-6-(piperidin-3-ylsulfonyl)pyrimidine hydrochloride
  • 4-Chloro-6-((piperidin-2-ylmethyl)sulfonyl)pyrimidine hydrochloride
  • 4-Chloro-6-((pyrrolidin-2-ylmethyl)sulfonyl)pyrimidine hydrochloride
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