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6118-51-0

6118-51-0 Structure

6118-51-0 Structure
IdentificationBack Directory
[Name]

EXO-3,6-EPOXY-1,2,3,6-TETRAHYDROPHTHALIC ANHYDRIDE
[CAS]

6118-51-0
[Synonyms]

7a-alpha)-
5,6-DEHYDRONORCANTHARIDIN
EXO-3 6-EPOXY-1 2 3 6-TETRAHYDROPHTHAL-&
EXO-3,6-EPOXY-1,2,3,6-TETRAHYDROPHTHALIC ANHYDRIDE
EXO-3,6-EPOXY-1,2,3,6-TETRAHYDROPHTALIC ANHYDRIDRE
EXO-3,6-EPOXY-1,2,3,6-TETRAHYDROPHTHALIC ANHYDRIDE 97%
exo-3,6-Epoxy-1,2,3,6-tetrahydrophthalic anhydride,90%
exo-3,6-Epoxy-1,2,3,6-tetrahydrophthalic anhydride,97%
EXO-3,6-EPOXY-1,2,3,6-TETRAHYDROPHTHALIC ANHYDRIDE 98+%
7-OXABICYCLO[2.2.1]HEPT-5-ENE-2,3-DICARBOXYLIC ANHYDRIDE
EXO-7-OXABICYCLO[2.2.1]HEPTENE-2,3-DICARBOXYLIC ANHYDRIDE
exo-3a,4,7,7a-Tetrahydro-4,7-epoxyisobenzofuran-1,3-dione
EXO-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2,3-DICARBOXYLIC ANHYDRIDE
exo-7-Oxabicyclo2.2.1ühept-5-ene-2,3-dicarboxylic anhydride, 98+%
exo-7-Oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic anhydride, 98+%
(3aR,4S,7R,7aS)-rel-3a,4,7,7a-Tetrahydro-4,7-epoxyisobenzofuran-1,3-dione
3a-alpha,4-beta,7-beta,7a-alpha-tetrahydro-4,7-epoxyisobenzofuran-1,3-dione
4,7-epoxyisobenzofuran-1,3-dione,3a,4,7,7a-tetrahydro-,(3a-alpha,4-beta,7-bet
[EINECS(EC#)]

226-570-2
[Molecular Formula]

C8H6O4
[MDL Number]

MFCD00151506
[MOL File]

6118-51-0.mol
[Molecular Weight]

166.13
Chemical PropertiesBack Directory
[Appearance]

white crystalline powder or chunks
[Melting point ]

118 °C (dec.)(lit.)
[Boiling point ]

372.0±42.0 °C(Predicted)
[density ]

1.540±0.06 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[form ]

powder to crystal
[color ]

White to Almost white
[Water Solubility ]

Hydrolyzes in water.
[Sensitive ]

Moisture Sensitive
[BRN ]

10355
[InChI]

1S/C8H6O4/c9-7-5-3-1-2-4(11-3)6(5)8(10)12-7/h1-6H/t3-,4+,5-,6+
[InChIKey]

QQYNRBAAQFZCLF-FBXFSONDSA-N
[SMILES]

O=C1OC(=O)[C@H]2C3OC(C=C3)[C@@H]12
[CAS DataBase Reference]

6118-51-0
Hazard InformationBack Directory
[Chemical Properties]

white crystalline powder or chunks
[Uses]

Intermediate in a useful synthesis of 4,4-dialkyl-2-butenolides, based on reaction with two moles of Grignard reagent, followed by cycloreversion (elimination of furan) to release the double bond.
[References]

[1] Tetrahedron Letters, 2008, vol. 49, # 39, p. 5680 - 5682
[2] Bioorganic Chemistry, 2003, vol. 31, # 1, p. 68 - 79
[3] Medicinal Chemistry Research, 2017, vol. 26, # 4, p. 779 - 786
[4] Green Chemistry, 2013, vol. 15, # 5, p. 1318 - 1325
[5] Medicinal Chemistry, 2014, vol. 10, # 4, p. 376 - 381
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-37/39
[WGK Germany ]

3
[RTECS ]

KC9650000
[F ]

10-21
[TSCA ]

Yes
[HS Code ]

29322090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Maleic anhydride-->Furan
Spectrum DetailBack Directory
[Spectrum Detail]

EXO-3,6-EPOXY-1,2,3,6-TETRAHYDROPHTHALIC ANHYDRIDE(6118-51-0)1HNMR
EXO-3,6-EPOXY-1,2,3,6-TETRAHYDROPHTHALIC ANHYDRIDE(6118-51-0)IR
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