2(3H)-Furanone, 3-(3,5-dimethylbenzoyl)dihydro-4-methyl-, (4S)- | 376364-27-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2(3H)-Furanone, 3-(3,5-dimethylbenzoyl)dihydro-4-methyl-, (4S)-
• 英文别名: (4S)-3-(3,5-dimethylbenzoyl)-4-methyloxolan-2-one
• CAS: 376364-27-1
• 化学式: C₁₄H₁₆O₃
• 分子量: 232.279
• InChiKey: GWHMKIYAPHHNLI-RWANSRKNSA-N

物化性质

• 沸点：
  415.3±45.0 °C(Predicted)
• 密度：
  1.128±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2(3H)-Furanone, 3-(3,5-dimethylbenzoyl)dihydro-4-methyl-, (4S)- 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 生成 (S)-4-chloro-1-(3,5-dimethylphenyl)-3-methylbutan-1-one
  参考文献：
  名称：

  Synthesis of chiral β-methyl tryptamine-derived GnRH antagonists

  摘要：

  The stereospecific formation of 2-aryl-beta -methyl tryptamine derivatives 15 and 16 from chiral 4-chloro-1-(3,5-dimethylphenyl)-3-methylbutanones is described. These intermediates were further manipulated into the GnRH antagonists Ib and Ic in five steps. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(01)01288-6
• 作为产物：
  描述：

  (S)-4-hydroxy-3-methylbutanenitrile 在 sodium hydroxide 、 sodium methylate 作用下， 以 1,4-二氧六环 、 乙醇 为溶剂， 生成 2(3H)-Furanone, 3-(3,5-dimethylbenzoyl)dihydro-4-methyl-, (4S)-
  参考文献：
  名称：

  Synthesis of chiral β-methyl tryptamine-derived GnRH antagonists

  摘要：

  The stereospecific formation of 2-aryl-beta -methyl tryptamine derivatives 15 and 16 from chiral 4-chloro-1-(3,5-dimethylphenyl)-3-methylbutanones is described. These intermediates were further manipulated into the GnRH antagonists Ib and Ic in five steps. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(01)01288-6

文献信息

• DERIVATIVES OF 3-HYDROXY-4-(CYCLYL-ALKYLAMINOALKYL)-5-PHENYL-1H-PYRAZOLE AS ANTAGONISTS OF THE GONADOTROPIN RELEASING HORMONE (GNRH) FOR USE IN THE TREATMENT OF SEX HORMONE RELATED CONDITIONS, SUCH AS PROSTATIC OF UTERINE CANCER
  申请人：AstraZeneca AB

  公开号：EP1531811B1

  公开（公告）日：2008-10-29
• US7514570B2
  申请人：——

  公开号：US7514570B2

  公开（公告）日：2009-04-07
• Synthesis of chiral β-methyl tryptamine-derived GnRH antagonists
  作者：Joseph P Simeone、Robert L Bugianesi、Mitree M Ponpipom、Mark T Goulet、Mark S Levorse、Ranjit C Desai

  DOI：10.1016/s0040-4039(01)01288-6

  日期：2001.9

  The stereospecific formation of 2-aryl-beta -methyl tryptamine derivatives 15 and 16 from chiral 4-chloro-1-(3,5-dimethylphenyl)-3-methylbutanones is described. These intermediates were further manipulated into the GnRH antagonists Ib and Ic in five steps. (C) 2001 Elsevier Science Ltd. All rights reserved.