dihydro-4-<(1,3-dithian-2-methyl-2-yl)methyl>-2H-pyran-2,6(3H)-dione | 141210-20-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酯类
• 英文名称: dihydro-4-<(1,3-dithian-2-methyl-2-yl)methyl>-2H-pyran-2,6(3H)-dione
• 英文别名: 4-[(2-Methyl-1,3-dithian-2-yl)methyl]oxane-2,6-dione
• CAS: 141210-20-0
• 化学式: C₁₁H₁₆O₃S₂
• 分子量: 260.378
• InChiKey: QVSZBDQHTGCWKG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  94
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  dihydro-4-<(1,3-dithian-2-methyl-2-yl)methyl>-2H-pyran-2,6(3H)-dione 在 2,2'-二硫二吡啶 、 三苯基膦 、 mercury dichloride 作用下， 以 乙二醇二甲醚 、 水 、 乙腈 为溶剂， 反应 80.0h， 生成 18-acetyl-17,19,20-trinorcrotalanan-11,15-dione
  参考文献：
  名称：

  Trifunctional reagents for substrate-protein conjugation: application to pyrrolizidine alkaloid analogues.

  摘要：

  We report the syntheses of two pyrrolizidine alkaloid (PA) analogues (1 and 2) which exploit the novel substrate-protein coupling reagents 4 and 5. Analogues 1 and 2 incorporate the targeted PA substructural unit (i.e., a macrocyclic diester of retronecine), possess a handle for protein conjugation, and potentially maintain the conformational integrity of macrocyclic PAs.

  DOI：

  10.1016/s0040-4020(01)92230-6
• 作为产物：
  描述：

  dimethyl 3-(2-oxopropyl)pentanedioate 在 sodium hydroxide 、 三氟化硼乙醚 、 乙酸酐 作用下， 反应 22.0h， 生成 dihydro-4-<(1,3-dithian-2-methyl-2-yl)methyl>-2H-pyran-2,6(3H)-dione
  参考文献：
  名称：

  Trifunctional reagents for substrate-protein conjugation: application to pyrrolizidine alkaloid analogues.

  摘要：

  We report the syntheses of two pyrrolizidine alkaloid (PA) analogues (1 and 2) which exploit the novel substrate-protein coupling reagents 4 and 5. Analogues 1 and 2 incorporate the targeted PA substructural unit (i.e., a macrocyclic diester of retronecine), possess a handle for protein conjugation, and potentially maintain the conformational integrity of macrocyclic PAs.

  DOI：

  10.1016/s0040-4020(01)92230-6

文献信息

• Trifunctional reagents for substrate-protein conjugation: application to pyrrolizidine alkaloid analogues.
  作者：Mark.J. Kurth、Larry A. Milco、R. Bryan Miller

  DOI：10.1016/s0040-4020(01)92230-6

  日期：1992.2

  We report the syntheses of two pyrrolizidine alkaloid (PA) analogues (1 and 2) which exploit the novel substrate-protein coupling reagents 4 and 5. Analogues 1 and 2 incorporate the targeted PA substructural unit (i.e., a macrocyclic diester of retronecine), possess a handle for protein conjugation, and potentially maintain the conformational integrity of macrocyclic PAs.