1-(benzyloxy)-2-methyl-3-(2-nitroprop-1-en-1-yl)benzene

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-(benzyloxy)-2-methyl-3-(2-nitroprop-1-en-1-yl)benzene
• 英文别名: 2-Methyl-1-(2-nitroprop-1-enyl)-3-phenylmethoxybenzene；2-methyl-1-(2-nitroprop-1-enyl)-3-phenylmethoxybenzene
• 化学式: C₁₇H₁₇NO₃
• 分子量: 283.327
• InChiKey: BSXHXZZQVKQUEL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  55
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(benzyloxy)-2-methyl-3-(2-nitroprop-1-en-1-yl)benzene 在 2,6-二甲基吡啶 、 tris-(dibenzylideneacetone)dipalladium(0) 、 lithium aluminium tetrahydride 、 palladium 10% on activated carbon 、 四丁基溴化铵 、 甲酸铵 、 potassium acetate 、 乙酸酐 、 caesium carbonate 、 溶剂黄146 、 N,N-二异丙基乙胺 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 、 三氟乙酸 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 甲醇 、 二氯甲烷 、 乙酸乙酯 为溶剂， 反应 105.42h， 生成 (E)-methyl 3-(4-((6S,8R/6R,8S)-3-acetyl-7-(2-fluoro-2-methylpropyl)-8-methyl-6,7,8,9-tetrahydro-3H-pyrazolo[4,3-f]isoquinolin-6-yl)-3,5-difluorophenyl)acrylate
  参考文献：
  名称：

  EP3312184

  摘要：

  公开号：
• 作为产物：
  描述：

  3-苄氧基-2-甲基-苯甲醛 、 硝基乙烷 在 ammonium acetate 作用下， 反应 12.0h， 以85%的产率得到1-(benzyloxy)-2-methyl-3-(2-nitroprop-1-en-1-yl)benzene
  参考文献：
  名称：

  EP3312184

  摘要：

  公开号：

文献信息

• Piperidine derivative and preparation method and pharmaceutical use thereof
  申请人：Jiangsu Hengrui Medicine Co., Ltd.

  公开号：US10087191B2

  公开（公告）日：2018-10-02

  The present invention relates to a piperidine derivative and the preparation method and a pharmaceutical use thereof. In particular, the present invention relates to the piperidine derivative as shown by general formula (I) and the preparation method thereof and a pharmaceutical composition containing the same, and the use thereof as an estrogen receptor modulator in the treatment of estrogen receptor mediated or dependent diseases or conditions, the diseases preferably being breast cancer. In the abstract, the definition of each substituent of the general formula (I) is the same as that in the description.

  本发明涉及一种哌啶衍生物及其制备方法和药物用途。特别是，本发明涉及通式（I）所示的哌啶衍生物及其制备方法和含有该衍生物的药物组合物，以及其作为雌激素受体调节剂在治疗雌激素受体介导或依赖性疾病或病症中的用途，该疾病优选为乳腺癌。在摘要中，通式（I）各取代基的定义与描述中的相同。
• PIPERIDINE DERIVATIVE AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF
  申请人：Jiangsu Hengrui Medicine Co., Ltd.

  公开号：US20180170943A1

  公开（公告）日：2018-06-21

  The present invention relates to a piperidine derivative and the preparation method and a pharmaceutical use thereof. In particular, the present invention relates to the piperidine derivative as shown by general formula (I) and the preparation method thereof and a pharmaceutical composition containing the same, and the use thereof as an estrogen receptor modulator in the treatment of estrogen receptor mediated or dependent diseases or conditions, the diseases preferably being breast cancer. In the abstract, the definition of each substituent of the general formula (I) is the same as that in the description.
• Piperidine Derivative and Preparation Method and Pharmaceutical Use Thereof
  申请人：Jiangsu Hengrui Medicine Co., Ltd.

  公开号：US20180298020A1

  公开（公告）日：2018-10-18

  The present invention relates to a piperidine derivative and the preparation method and a pharmaceutical use thereof. In particular, the present invention relates to the piperidine derivative as shown by general formula (I) and the preparation method thereof and a pharmaceutical composition containing the same, and the use thereof as an estrogen receptor modulator in the treatment of estrogen receptor mediated or dependent diseases or conditions, the diseases preferably being breast cancer. In the abstract, the definition of each substituent of the general formula (I) is the same as that in the description.