3,3-dimethyl-3,5,6,6a-tetrahydrocyclopenta[1,2]dioxole | 66669-54-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氧戊环
• 英文名称: 3,3-dimethyl-3,5,6,6a-tetrahydrocyclopenta[1,2]dioxole
• 英文别名: 3,3-dimethyl-6,6a-dihydro-5H-cyclopenta[c]dioxole
• CAS: 66669-54-3
• 化学式: C₈H₁₂O₂
• 分子量: 140.182
• InChiKey: BKJIFEYRAVMQIO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  7-isopropylidene-2,3-diaza-bicyclo[2.2.1]hept-2-ene 在 氧气 作用下， 以 various solvent(s) 为溶剂， 反应 6.0h， 生成 3,3-dimethyl-3,5,6,6a-tetrahydrocyclopenta[1,2]dioxole
  参考文献：
  名称：

  A Matrix Isolation Study of 2-Isopropylidenecyclopentane-1,3-diyl (Berson-Type Diradical)

  摘要：

  The photodenitrogenation of diazene 5 in an argon matrix at 10 K permitted the first observation of an IR spectrum of 2-isopropylidenecyclopentane-1,3-diyl 2 ( a Berson-type diradical). A comparison of the IR spectrum with a vibrational simulation at the B3LYP/6-31G( d) level of theory revealed that the diradical 2 has a planar structure. The oxygen-trapping reaction of 2 produced regioselectively fused peroxide 6 in an oxygen-doped argon matrix at 10 K. Irradiation of the diradical 2 afforded enyne 8 in an argon matrix at 10 K.

  DOI：

  10.1021/jo060587l

文献信息

• LITTLE, R. D.;LOSINSKI-DANG, L.;VENEGAS, M. G.;MERLIC, C., TETRAHEDRON LETT., 1983, 24, N 42, 4499-4502
  作者：LITTLE, R. D.、LOSINSKI-DANG, L.、VENEGAS, M. G.、MERLIC, C.

  DOI：——

  日期：——
• A Matrix Isolation Study of 2-Isopropylidenecyclopentane-1,3-diyl (Berson-Type Diradical)
  作者：Manabu Abe、Satoshi Kawanami、Araki Masuyama、Takashi Hayashi

  DOI：10.1021/jo060587l

  日期：2006.8.1

  The photodenitrogenation of diazene 5 in an argon matrix at 10 K permitted the first observation of an IR spectrum of 2-isopropylidenecyclopentane-1,3-diyl 2 ( a Berson-type diradical). A comparison of the IR spectrum with a vibrational simulation at the B3LYP/6-31G( d) level of theory revealed that the diradical 2 has a planar structure. The oxygen-trapping reaction of 2 produced regioselectively fused peroxide 6 in an oxygen-doped argon matrix at 10 K. Irradiation of the diradical 2 afforded enyne 8 in an argon matrix at 10 K.