Cas no 16021-08-2 (2(1H)-Naphthalenone,octahydro-, (4aR,8aR)-rel-)

2(1H)-Naphthalenone,octahydro-, (4aR,8aR)-rel- structure
16021-08-2 structure
Product Name:2(1H)-Naphthalenone,octahydro-, (4aR,8aR)-rel-
CAS No:16021-08-2
MF:C10H16O
MW:152.233443260193
CID:224167
Update Time:2026-05-14

2(1H)-Naphthalenone,octahydro-, (4aR,8aR)-rel- Chemical and Physical Properties

Names and Identifiers

    • 2(1H)-Naphthalenone,octahydro-, (4aR,8aR)-rel-
    • (4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one
    • trans-octahydronaphthalene-2(1H)-one
    • (4aR,8aR)-2-Decalone
    • (4ar,8ar)-octahydronaphthalen-2(1h)-one
    • EINECS 240-156-9
    • octahydro-naphthalen-2-one
    • trans-2-Decalone
    • trans-bicyclo[4.4.0]decan-3-one
    • trans-decal-2-one
    • trans-decalin-2-one
    • Inchi: InChI=1S/C10H16O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h8-9H,1-7H2/t8-,9-/m0/s1
    • InChI Key: LGVJRKCQQHOWAU-IUCAKERBSA-N
    • SMILES: O=C1CC[C@@H]2CCCC[C@H]2C1

Computed Properties

  • Exact Mass: 152.12000
  • Monoisotopic Mass: 152.12
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 162
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0

Experimental Properties

  • Density: 0.982g/cm3
  • Boiling Point: 255oC at 760mmHg
  • Flash Point: 101.7oC
  • Refractive Index: 1.483
  • PSA: 17.07000
  • LogP: 2.54580

2(1H)-Naphthalenone,octahydro-, (4aR,8aR)-rel- Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Hydrogen peroxide Catalysts: Iron (thymine-1-acetic acid complex) Solvents: Acetonitrile ;  10 h, 60 °C
Reference
From DNA to catalysis: a thymine-acetate ligated non-heme iron(III) catalyst for oxidative activation of aliphatic C-H bonds
Al-hunaiti, Afnan; et al, Chemical Communications (Cambridge, 2016, 52(10), 2043-2046

Production Method 2

Reaction Conditions
1.1 Reagents: Trifluoroacetic acid ,  2,2′-Bipyridine ,  Oxygen Catalysts: Hexakis[μ-(acetato-κO:κO′)]-μ3-oxotris(pyridine)triiron Solvents: Pyridine
Reference
Selective oxidation of saturated hydrocarbons using an electrochemical modification of the Gif system
Balavoine, Gilbert; et al, Tetrahedron Letters, 1986, 27(25), 2849-52

2(1H)-Naphthalenone,octahydro-, (4aR,8aR)-rel- Raw materials

2(1H)-Naphthalenone,octahydro-, (4aR,8aR)-rel- Preparation Products

2(1H)-Naphthalenone,octahydro-, (4aR,8aR)-rel- Related Literature

  • 1. 221. Experiments on the synthesis of substances related to the sterols. Part L. The A→BCD route. Part III
    A. R. Pinder,Robert Robinson J. Chem. Soc. 1952 1224
  • 2. 221. Experiments on the synthesis of substances related to the sterols. Part L. The A→BCD route. Part III
    A. R. Pinder,Robert Robinson J. Chem. Soc. 1952 1224
  • 3. Equilibration of alkene regioisomers in trans-and cis-octalins
    Hugh W. Thompson,Kamlesh D. Gaglani J. Chem. Soc. Perkin Trans. 2 1993 967
  • 4. 168. The synthesis of polyterpenoid compounds. Part III
    J. W. Cook,C. A. Lawrence J. Chem. Soc. 1937 817
  • 5. Optical rotatory dispersion and circular dichroism. Part LXXXI. Optical resolution of trans-1eq-decalol, trans-2eq-decalol, and trans,syn,trans-perhydroanthracen-2eq-ol
    Franco Fernandez,David N. Kirk,Molly Scopes J. Chem. Soc. Perkin Trans. 1 1974 18
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