4-allyl-2,4-dichloro-5,5-dimethoxy-3-oxocyclopent-1-en-1-yl morpholine-4-carbodithioate | 1307825-07-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-allyl-2,4-dichloro-5,5-dimethoxy-3-oxocyclopent-1-en-1-yl morpholine-4-carbodithioate
• 英文别名: 4-Allyl-2,4-dichloro-5,5-dimethoxy-3-oxocyclo-pent-1-en-1-yl morpholine-4-carbodithioate；(2,4-dichloro-5,5-dimethoxy-3-oxo-4-prop-2-enylcyclopenten-1-yl) morpholine-4-carbodithioate
• CAS: 1307825-07-5
• 化学式: C₁₅H₁₉Cl₂NO₄S₂
• 分子量: 412.358
• InChiKey: RWQOHKFRAQCHSP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  105
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  吗啉 、 二硫化碳 、 5-allyl-2,3,5-trichloro-4,4-dimethoxy-2-cyclopentenone 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 以80%的产率得到4-allyl-2,4-dichloro-5,5-dimethoxy-3-oxocyclopent-1-en-1-yl morpholine-4-carbodithioate
  参考文献：
  名称：

  New nitrogen- and sulfur-containing derivatives of chlorocyclopentenones

  摘要：

  Reactions of 2,3,5-trichloro-4,4-ethylenedioxy- and 2,3,5-trichloro-5-(1,1-dimethylprop-2-en-1-yl)-4,4-dimethoxycyclopent-2-en-1-ones with amino acids gave products of Ad(N)E substitution at the C-3 atom, the corresponding vinylogous amides. Sodium carbamodithioates generated in situ from amines, carbon disulfide, and sodium hydride in tetrahydrofuran reacted with di- and trichlorocyclopentenones in a similar way. Cyanosilylation of 2,3,5-trichloro-4,4-ethylenedioxyyclopent-2-en-1-one with trimethylsilyl cyanide smoothly occurred in toluene at 25 degrees C in the presence of glycine as catalyst.

  DOI：

  10.1134/s1070428011030067