Tropone 环庚三烯酮

CAS 539-80-0 MFCD00014331

化学结构图

539-80-0
SMILES: O=C1CCCCCC1

化学属性

Mol. FormulaC7H6O
Mol. Weight106.12
Density1.094 g/mL at 25 °C(lit.)
Boiling Point113 °C at 15 mmHg
Refractive indexn20/D 1.615(lit.)
Flash Point>110°(230°F)
TSCANo
Melting Point-7 °C

别名和识别编码

Chemical NameTropone
Synonym Tropone {LY} Tropone cyclohepta-2,4,6-trienone cycloheptatrienone tropone {} {LY} Tropone {} {} {LY} Tropone {} {} {} {LY} Tropone {} {} {} {} {LY} Tropone {} {} {} {} {} {LY} Tropone {} {} {} {} {} {} {LY} Tropone {} {} {} {} {} {} {} {LY} Tropone {} {} {} {} {} {} {} {} {LY} Tropone {} {} {} {} {} {} {} {} {} {LY} Tropone {} {} {} {} {} {} {} {} {} {} {LY} Tropone {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} Tropone {} {} {} {} {} {} {} {} {} {} {} {} {LY} Tropone {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Tropone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Tropone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Tropone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Tropone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Tropone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00014331
PubChem Substance ID10881
Beilstein Registry Number1902335
CAS Number539-80-0
EC Number208-725-6
Chemical Name Translation环庚三烯酮
LabNetwork Molecule IDLN02145102
Canonical SMILESO=C1C=CC=CC=C1
InChIInChI=1S/C7H6O/c8-7-5-3-1-2-4-6-7/h1-6H
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分类

  • Building Blocks, C7 to C8, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks
  • {SNA} Building Blocks, C7 to C8, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks
  • {uni_hamburg} no charge; carbocycle; large ring; 7ring; ketone; 1fragment

相关文献及参考

  • Beil. 7 ,IV,501
  • Structure Index 1 , 69:B:5
  • Short: II/14a Title: Molecular Constants: Diamagnetic Molecules Author: Demaison, J.; Dubrulle, A.; Hüttner, W.; Tiemann, E. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: II/14a Page: 1-788 Year: 1982 Keyword: organic compounds; molecular constants; spectroscopy; microwave spectroscopy ISBN: 3-540-11365-7 ISBN: 978-3-540-11365-2 Internet Resource: DOI:10.1007/b19966 RefComment: 196 figs., XI
  • Short: II/25D Title: Structure Data of Free Polyatomic Molecules: Molecules Containing Five or More Carbon Atoms Author: Graner, G.; Hirota, E.; Iijima, T.; Kuchitsu, K.; Ramsay, D.A.; Vogt, J.; Vogt, N. Editor: Kuchitsu, K. Source: Landolt-Börnstein, New Series Volume: II/25D Year: 2003 Keyword: Free Polyatomic Molecules; Carbon Atoms; Molecules ISBN: 3-540-42860-7 ISBN: 978-3-540-42860-2 Internet Resource: DOI:
  • Reacts as a diene in the Diels-Alder reaction with electron-rich alkenes (inverse electron-demand); see, e.g.: Org. Synth. Coll., 9, 396 (1998):
  • Alternatively, reaction can occur with electron-deficient alkenes, as exemplified by phenyl vinyl sulfoxide. In this case, cyclic elimination leads directly to bicyclo[3.2.2]nona-3,6,8-trien-2-one in low yield: J. Org. Chem., 48, 3591 (1983). For a review of cycloadducts of tropone and its analogs with sulfenes and ketenes, see: Heterocycles, 18, 343 (1982).
  • For cycloaddition reactions with kinetically stabilized phosphaalkynes, leading to tetracyclic phosphorus-carbon cage compounds, see: J. Org. Chem., 60, 5884 (1995); Synthesis, 87 (1996).
  • Reacts with Grignard reagents at the 2-position (1,6-addition) as in the first step of a synthesis of the hydroazulene skeleton: Tetrahedron Lett., 23, 1863 (1982). Addition of various Li enolates again leads to 2-substituted 2,6-dihydrotropones in good yield: J. Org. Chem., 53, 4596 (1988).

安全信息

WGK Germany3
Personal Protective Equipment Eyeshields, Gloves
Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

系列性分类


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