4-methyl-3-isopropyl-4-pentenal | 218765-79-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-methyl-3-isopropyl-4-pentenal
• 英文别名: 4-Methyl-3-propan-2-ylpent-4-enal
• CAS: 218765-79-8
• 化学式: C₉H₁₆O
• 分子量: 140.225
• InChiKey: DHWPSKLWKJHQLU-UHFFFAOYSA-N

物化性质

• 沸点：
  180.9±9.0 °C(Predicted)
• 密度：
  0.824±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 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-methyl-3-isopropyl-4-pentenal 在 N-甲基吲哚酮 、 四丙基高钌酸铵 、 叔丁基锂 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  A formal synthesis of crinipellin B based on the arene-alkene meta-photocycloaddition reaction

  摘要：

  Starting from triethyl phosphonopropionate and 3-nitro-2-methylbenzoic acid, a formal synthesis of crinipellin B was achieved. The strategy draws on the use of a novel version of the arene-alkene meta-photocycloaddition reaction that proceeds with the generation of 4 rings and 4 quaternary stereocenters in one synthetic operation. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)01965-0
• 作为产物：
  描述：

  ethyl 2,4-dimethylpent-2-enoate 在 lithium aluminium tetrahydride 、 mercury(II) diacetate 作用下， 以 乙醚 为溶剂， 200.0 ℃ 、965.26 kPa 条件下， 反应 12.0h， 生成 4-methyl-3-isopropyl-4-pentenal
  参考文献：
  名称：

  A formal synthesis of crinipellin B based on the arene-alkene meta-photocycloaddition reaction

  摘要：

  Starting from triethyl phosphonopropionate and 3-nitro-2-methylbenzoic acid, a formal synthesis of crinipellin B was achieved. The strategy draws on the use of a novel version of the arene-alkene meta-photocycloaddition reaction that proceeds with the generation of 4 rings and 4 quaternary stereocenters in one synthetic operation. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)01965-0

文献信息

• A formal synthesis of crinipellin B based on the arene-alkene meta-photocycloaddition reaction
  作者：Paul A. Wender、Timothy M. Dore

  DOI：10.1016/s0040-4039(98)01965-0

  日期：1998.11

  Starting from triethyl phosphonopropionate and 3-nitro-2-methylbenzoic acid, a formal synthesis of crinipellin B was achieved. The strategy draws on the use of a novel version of the arene-alkene meta-photocycloaddition reaction that proceeds with the generation of 4 rings and 4 quaternary stereocenters in one synthetic operation. (C) 1998 Elsevier Science Ltd. All rights reserved.