3-Heptyl-methansulfonat | 90952-20-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: 3-Heptyl-methansulfonat
• 英文别名: Heptan-3-yl methanesulfonate
• CAS: 90952-20-8
• 化学式: C₈H₁₈O₃S
• 分子量: 194.295
• InChiKey: CLIWGQGITJJEQL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  12
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  51.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-Heptyl-methansulfonat 在 sodium hydroxide 、 potassium carbonate 作用下， 以 1,4-二氧六环 、 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 5-(2,4-dichloroanilino)-2-ethyl-3-heptan-3-yl-N-methylimidazole-4-carboxamide
  参考文献：
  名称：

  Design, Synthesis, and Biological Evaluation of 1,2,3,7-Tetrahydro-6H-purin-6-one and 3,7-Dihydro-1H-purine-2,6-dione Derivatives as Corticotropin-Releasing Factor₁ Receptor Antagonists

  摘要：

  A growing body of evidence suggests that CRF1, receptor antagonism offers considerable therapeutic potential in the treatment of diseases resulting from elevated levels of CRF, such as anxiety and depression. A series of novel 1,2,3,7-tetrahydro-6H-purin-6-one and 3,7-dihydro-1H-purine-2,6-dione derivatives was synthesized and evaluated as corticotropin releasing factor-1 (CRF1) receptor antagonists. Compounds within this series, represented by compound 12d (IC50 = 5.4 nM), were found to be highly potent CRF, receptor antagonists. In addition, compounds 12d and 12j were determined to be selective CRF, antagonists. The synthesis, structure-activity relationships and pharmacokinetic properties of compounds within this series is presented.

  DOI：

  10.1021/jm049787k
• 作为产物：
  描述：

  3-庚醇 、 甲基磺酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 3-Heptyl-methansulfonat
  参考文献：
  名称：

  乙基（苯硫基）亚甲基类胡萝卜素在烷基锂的βCH键上的氢化物抽象和区域选择性插入反应

  摘要：

  对烷基锂与1-氯丙基苯硫醚反应的研究表明，在乙基锂的βCH键上，乙基（苯硫基）亚甲基类胡萝卜素对区域选择性插入和氢化物夺取两个新反应。

  DOI：

  10.1016/s0040-4039(00)99034-8

文献信息

• HARADA, TOSHIRO;MAEDA, HISATOMO;OKU, AKIRA, TETRAHEDRON LETT., 1985, 26, N 52, 6489-6492
  作者：HARADA, TOSHIRO、MAEDA, HISATOMO、OKU, AKIRA

  DOI：——

  日期：——
• Design, Synthesis, and Biological Evaluation of 1,2,3,7-Tetrahydro-6<i>H</i>-purin-6-one and 3,7-Dihydro-1<i>H</i>-purine-2,6-dione Derivatives as Corticotropin-Releasing Factor₁ Receptor Antagonists
  作者：Richard A. Hartz、Kausik K. Nanda、Charles L. Ingalls、Vijay T. Ahuja、Thaddeus F. Molski、Ge Zhang、Harvey Wong、Yong Peng、Michelle Kelley、Nicholas J. Lodge、Robert Zaczek、Paul J. Gilligan、George L. Trainor

  DOI：10.1021/jm049787k

  日期：2004.9.1

  A growing body of evidence suggests that CRF1, receptor antagonism offers considerable therapeutic potential in the treatment of diseases resulting from elevated levels of CRF, such as anxiety and depression. A series of novel 1,2,3,7-tetrahydro-6H-purin-6-one and 3,7-dihydro-1H-purine-2,6-dione derivatives was synthesized and evaluated as corticotropin releasing factor-1 (CRF1) receptor antagonists. Compounds within this series, represented by compound 12d (IC50 = 5.4 nM), were found to be highly potent CRF, receptor antagonists. In addition, compounds 12d and 12j were determined to be selective CRF, antagonists. The synthesis, structure-activity relationships and pharmacokinetic properties of compounds within this series is presented.
• Hydride abstraction and regioselective insertion reaction at β C-H bond of alkyllithium by ethyl(phenylthio)methylene carbenoid
  作者：Toshiro Harada、Hisatomo Maeda、Akira Oku

  DOI：10.1016/s0040-4039(00)99034-8

  日期：——

  Study on the reaction of alkyllithium with 1-chloropropyl phenyl sulfide showed two novel reactions, the regioselective insertion and the hydride abstraction, at the β C-H bond of alkyllithium by ethyl(phenylthio)methylene carbenoid.

  对烷基锂与1-氯丙基苯硫醚反应的研究表明，在乙基锂的βCH键上，乙基（苯硫基）亚甲基类胡萝卜素对区域选择性插入和氢化物夺取两个新反应。