1,1-dibromo-2,2-dimethyl-3-isopropylidenecyclopropane | 1123-47-3

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机溴化物
• 英文名称: 1,1-dibromo-2,2-dimethyl-3-isopropylidenecyclopropane
• 英文别名: 1,1-dibromo-2-isopropylidene-3,3-dimethylcyclopropane；1,1-dibromo-3-isopropylidene-2,2-dimethyl-cyclopropane；1,1-Dibrom-2,2-dimethyl-3-isopropyliden-cyclopropan；1,1-Dibromo-2,2-dimethyl-3-(propan-2-ylidene)cyclopropane；1,1-dibromo-2,2-dimethyl-3-propan-2-ylidenecyclopropane
• CAS: 1123-47-3
• 化学式: C₈H₁₂Br₂
• 分子量: 267.991
• InChiKey: SIKJYNDJPOBQOG-UHFFFAOYSA-N

物化性质

• 沸点：
  200.7±40.0 °C(Predicted)
• 密度：
  1.667±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  1,1-dibromo-2,2-dimethyl-3-isopropylidenecyclopropane 在 甲基锂 作用下， 以 乙醚 为溶剂， 生成 2,5-二甲基己-2,3,4-三烯
  参考文献：
  名称：

  积雨云的新途径。将二卤卡宾添加到2,5-二甲基-2,3,4-己三烯中。

  摘要：

  DOI：

  10.1016/s0040-4039(00)90174-6
• 作为产物：
  描述：

  三溴甲烷 、 2,4-二甲基-2,3-戊二烯 在 potassium tert-butylate 作用下， 反应 48.0h， 生成 1,1-dibromo-2,2-dimethyl-3-isopropylidenecyclopropane
  参考文献：
  名称：

  An ESR and MO study of the butatriene and tetramethylbutatriene radical cations

  摘要：

  The radical cations of butatriene (BT+.) and tetramethylbutatriene (TMBT+.) have been stabilized in low-temperature halocarbon matrices and studied by ESR spectroscopy. The spectra of BT+. and TMBT+. exhibit isotropic hyperfine splittings of 8.3 G (4H) and 13.0 G (12H), respectively. The skew angles of BT+. (25-degrees) and TMBT+. (50-degrees) are estimated by comparing the experimental hyperfine splittings with those obtained by semiempirical MO calculations.

  DOI：

  10.1016/0584-8539(93)80078-o

文献信息

• Synthesis of Some 1-Substituted 2,2-Dimethyl-3-isopropylidenecyclopropanes^1a
  作者：J. Meinwald、J. W. Wheeler、A. A. Nimetz、J. S. Liu

  DOI：10.1021/jo01015a021

  日期：1965.4
• Preparation of Diadducts from Dienes and Dihalo-Carbenes. A General Sonochemical Method
  作者：Terje Didriksen、Lars Skatteb⊘l

  DOI：10.1080/00397919908086077

  日期：1999.4

  Diadducts were formed in excellent yields from reactions of dienes with chloroform or bromoform, powdered sodium hydroxide and benzyltriethylammonium chloride as catalyst using ultrasound.
• A novel route to cumulenes. The addition of dihalocarbenes to 2,5-dimethyl-2,3,4-hexatriene.
  作者：Lars Skattebøl

  DOI：10.1016/s0040-4039(00)90174-6

  日期：1965.1
• An ESR and MO study of the butatriene and tetramethylbutatriene radical cations
  作者：Y. Kubozono、T. Miyamoto、T. Shinmyozu、M. Aoyagi、Y. Gondo、H. Takemura、M. Shiotani

  DOI：10.1016/0584-8539(93)80078-o

  日期：1993.7

  The radical cations of butatriene (BT+.) and tetramethylbutatriene (TMBT+.) have been stabilized in low-temperature halocarbon matrices and studied by ESR spectroscopy. The spectra of BT+. and TMBT+. exhibit isotropic hyperfine splittings of 8.3 G (4H) and 13.0 G (12H), respectively. The skew angles of BT+. (25-degrees) and TMBT+. (50-degrees) are estimated by comparing the experimental hyperfine splittings with those obtained by semiempirical MO calculations.