4',5',6',7'-tetrahydrospiro-3-one | 10503-80-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4',5',6',7'-tetrahydrospiro-3-one
• 英文别名: 4',5',6',7'-tetrahydro-spiro[cyclohexane-1,1'-inden]-3'-one；4',5',6',7'-Tetrahydro-spiro[cyclohexan-1,1'-inden]-3'-on；4',5',6',7'-Tetrahydrospiro[cyclohexane-1,1'-inden]-3'(2'h)-one；spiro[4,5,6,7-tetrahydro-2H-indene-3,1'-cyclohexane]-1-one
• CAS: 10503-80-7
• 化学式: C₁₄H₂₀O
• 分子量: 204.312
• InChiKey: CXAZLUPBTPWMBI-UHFFFAOYSA-N

物化性质

• 熔点：
  93-94 °C
• 沸点：
  349.4±9.0 °C(Predicted)
• 密度：
  1.05±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4',5',6',7'-tetrahydrospiro-3-one 在 palladium on activated charcoal 、 乙醇 、 铂 作用下， 生成 hexahydro-spiro[cyclohexane-1,1'-indan]-3'-one
  参考文献：
  名称：

  Nasarow; Sarezkaja, Zhurnal Obshchei Khimii, 1959, vol. 29, p. 1558,1559

  摘要：

  DOI：
• 作为产物：
  描述：

  1,2-二(1,1’-二环己醇基)乙炔 在 PtCl₄-CO 水 作用下， 以 四氢呋喃 为溶剂， 80.0 ℃ 、137.89 kPa 条件下， 反应 1.5h， 以94%的产率得到4',5',6',7'-tetrahydrospiro-3-one
  参考文献：
  名称：

  Hydration of Alkynes by a PtCl₄−CO Catalyst

  摘要：

  Treatment of PtCl4 with CO at 40-110 degrees C forms a powerful alkyne hydration catalyst that operates both under homogeneous conditions in wet THF and under phase-transfer conditions in (CHCl2)(2)/H2O in the presence of tricaprylmethylammonium chloride (Aliquat 336). Complex HPtCl(CO)(2) is regarded as the active hydration catalyst. It is assumed to be formed by initial transformation of PtCl4 to H-2[Pt-3(CO)(6)](n), (n = 5, 6) followed by reaction with HCl (generated by decomposition of the starting platinum salt).

  DOI：

  10.1021/jo961740m

文献信息

• Synthetic route to tricyclic carbon compounds by Friedel–crafts acylation
  作者：Arlette Tubul、Maurice Santelli

  DOI：10.1039/c39880000191

  日期：——

  Acylation of cyclohexene by cyclohexenyl- or cyclopentenyl-acetyl chloride gave des-A-11-oxo or des-D-7-oxo steroids.

  通过环己烯基-或环戊烯基-乙酰氯酰化环己烯，得到des- A -11-氧代或des-D-7-氧代甾族化合物。
• KIENZLE, F.;MINDER, R. E., CHIMIA, 1985, 39, N 4, 100-101
  作者：KIENZLE, F.、MINDER, R. E.

  DOI：——

  日期：——
• TUBUL, ARLETTE;SANTELLI, MAURICE, J. CHEM. SOC. CHEM. COMMUN.,(1988) N 3, 191-192
  作者：TUBUL, ARLETTE、SANTELLI, MAURICE

  DOI：——

  日期：——
• WO2023/17086
  申请人：——

  公开号：——

  公开（公告）日：——
• Hydration of Alkynes by a PtCl₄−CO Catalyst
  作者：Waël Baidossi、Michal Lahav、Jochanan Blum

  DOI：10.1021/jo961740m

  日期：1997.2.1

  Treatment of PtCl4 with CO at 40-110 degrees C forms a powerful alkyne hydration catalyst that operates both under homogeneous conditions in wet THF and under phase-transfer conditions in (CHCl2)(2)/H2O in the presence of tricaprylmethylammonium chloride (Aliquat 336). Complex HPtCl(CO)(2) is regarded as the active hydration catalyst. It is assumed to be formed by initial transformation of PtCl4 to H-2[Pt-3(CO)(6)](n), (n = 5, 6) followed by reaction with HCl (generated by decomposition of the starting platinum salt).