(8aR)-8A-Methyl-3,4,8,8A-Tetrahydro-1,6(2H,7H)-Naphthalenedione
[CAS# 100348-93-4]

Identification

• Name: (8aR)-8A-Methyl-3,4,8,8A-Tetrahydro-1,6(2H,7H)-Naphthalenedione
• Synonyms: (8AR)-8a-Methyl-3,4,8,8a-tetrahydronaphthalene-1,6(2H,7H)-dione; (8aR)-8a-Methyl-3,4,8,8a-tetrahydronaphthalene-1,6(2H,7H)-dione; Wieland-Miescher ketone, R-(–)- isomer; (R)-(-)-8a-Methyl-3,4,8,8a-tetrahydro-1,6(2H,7H)-naphthalenedione
• Molecular Formula: C₁₁H₁₄O₂
• Molecular Weight: 178.23
• CAS Registry Number: 100348-93-4
• SMILES: C[C@@]12CCC(=O)C=C1CCCC2=O
• InChI: 1S/C11H14O2/c1-11-6-5-9(12)7-8(11)3-2-4-10(11)13/h7H,2-6H2,1H3/t11-/m1/s1
• InChIKey: DNHDRUMZDHWHKG-LLVKDONJSA-N

Properties

• Density: 1.109g/cm³ (Cal.)
• Boiling point: 325.548°C at 760 mmHg (Cal.)
• Flash point: 121.986°C (Cal.)
• Refractive index: 1.519 (Cal.)

Safety Data

• Safety Description: IRRITANT

References

• (1): Davies Stephen G.. Evaluating β-amino acids as enantioselective organocatalysts of the Hajos–Parrish–Eder–Sauer–Wiechert reaction, Organic & Biomolecular Chemistry, 2007