(S)-cyclopropyl-(2-methylphenyl)methanol | 1236375-84-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (S)-cyclopropyl-(2-methylphenyl)methanol
• CAS: 1236375-84-0
• 化学式: C₁₁H₁₄O
• 分子量: 162.232
• InChiKey: KNIQSIAZIIYPCG-NSHDSACASA-N

物化性质

• 沸点：
  271.3±9.0 °C(Predicted)
• 密度：
  1.110±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (S)-cyclopropyl-(2-methylphenyl)methanol 、 (S)-(+)- 间硝基苯磺酸缩水甘油酯 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  New aminopropandiol derivatives as orally available and short-acting calcium-sensing receptor antagonists

  摘要：

  Synthesis and structure-activity relationship studies on a new aminopropandiol class of derivatives as calcium-sensing receptor antagonists are described. Modification of the phenolic moiety of a calcilytic compound NPS 2143 led to the identification of an orally available compound (R,R)-31 which demonstrated a rapid and transient stimulation of PTH release in rats. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.04.035
• 作为产物：
  描述：

  环丙基(2-甲基苯基)甲酮 在 RuCl2[(S)-BINAP](dmf)n 、 (1S,2S)-1,2-二苯基乙二胺 、 potassium tert-butylate 、 氢气 作用下， 以 异丙醇 为溶剂， 20.0 ℃ 、500.01 kPa 条件下， 生成 (R)-(cyclopropyl)(2-methylphenyl)methanol 、 (S)-cyclopropyl-(2-methylphenyl)methanol
  参考文献：
  名称：

  New aminopropandiol derivatives as orally available and short-acting calcium-sensing receptor antagonists

  摘要：

  Synthesis and structure-activity relationship studies on a new aminopropandiol class of derivatives as calcium-sensing receptor antagonists are described. Modification of the phenolic moiety of a calcilytic compound NPS 2143 led to the identification of an orally available compound (R,R)-31 which demonstrated a rapid and transient stimulation of PTH release in rats. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.04.035

文献信息

• New aminopropandiol derivatives as orally available and short-acting calcium-sensing receptor antagonists
  作者：Yuko Shinagawa、Teruhiko Inoue、Kazuyuki Hirata、Takeo Katsushima、Takashi Nakagawa、Yushi Matsuo、Masanori Shindo、Hiromasa Hashimoto

  DOI：10.1016/j.bmcl.2010.04.035

  日期：2010.6

  Synthesis and structure-activity relationship studies on a new aminopropandiol class of derivatives as calcium-sensing receptor antagonists are described. Modification of the phenolic moiety of a calcilytic compound NPS 2143 led to the identification of an orally available compound (R,R)-31 which demonstrated a rapid and transient stimulation of PTH release in rats. (C) 2010 Elsevier Ltd. All rights reserved.