tert-butyl 2-(N-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)but-3-enoyl]-2-prop-2-enylanilino)acetate | 500872-38-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: tert-butyl 2-(N-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)but-3-enoyl]-2-prop-2-enylanilino)acetate
• CAS: 500872-38-8
• 化学式: C₃₄H₃₆N₂O₅
• 分子量: 552.67
• InChiKey: FXRMBMQFIZPLAJ-LJAQVGFWSA-N

物化性质

• 沸点：
  708.8±60.0 °C(Predicted)
• 密度：
  1.176±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  41
• 可旋转键数：
  13
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  84.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  tert-butyl 2-(N-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)but-3-enoyl]-2-prop-2-enylanilino)acetate 在 Ru-containing catalyst 作用下， 以 二氯甲烷 为溶剂， 反应 16.0h， 以99%的产率得到tert-butyl 2-[(3S,4Z)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-oxo-3,6-dihydro-1-benzazocin-1-yl]acetate
  参考文献：
  名称：

  A modular, general and enantiospecific strategy for the synthesis of CVS 1778 analogs: inhibitors of factor Xa

  摘要：

  A modular synthetic route has been developed for the synthesis of a series of complex benzalactams which are potent inhibitors of factor Xa. The route produces fused benzalactams of varying ring size via a key-step ring-closing metathesis reaction. The route also facilitates the synthesis of discrete enantiomers using readily available commercial building blocks. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)01924-x
• 作为产物：
  描述：

  (S)-N-Fmoc-乙烯基甘氨酸 在 氯化亚砜 作用下， 以 二氯甲烷 为溶剂， 反应 18.0h， 生成 tert-butyl 2-(N-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)but-3-enoyl]-2-prop-2-enylanilino)acetate
  参考文献：
  名称：

  A modular, general and enantiospecific strategy for the synthesis of CVS 1778 analogs: inhibitors of factor Xa

  摘要：

  A modular synthetic route has been developed for the synthesis of a series of complex benzalactams which are potent inhibitors of factor Xa. The route produces fused benzalactams of varying ring size via a key-step ring-closing metathesis reaction. The route also facilitates the synthesis of discrete enantiomers using readily available commercial building blocks. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)01924-x

文献信息

• Method and apparatus for performing micro-scale chemical reactions
  申请人：Organ Michael

  公开号：US20070212267A1

  公开（公告）日：2007-09-13

  A reactor apparatus includes at least one reaction capillary having a lumen for receiving a reactant to undergo a reaction, and a magnetron for irradiating reactant contained in at least a portion of the capillary with microwaves. A method of micro-reacting a reactant includes providing a capillary, and irradiating the reactant in the capillary with microwaves to facilitate a chemical reaction in the capillary by which the reactant is converted into a desired product.
• A modular, general and enantiospecific strategy for the synthesis of CVS 1778 analogs: inhibitors of factor Xa
  作者：Michael G Organ、Juan Xu、Blaise N'Zemba

  DOI：10.1016/s0040-4039(02)01924-x

  日期：2002.11

  A modular synthetic route has been developed for the synthesis of a series of complex benzalactams which are potent inhibitors of factor Xa. The route produces fused benzalactams of varying ring size via a key-step ring-closing metathesis reaction. The route also facilitates the synthesis of discrete enantiomers using readily available commercial building blocks. (C) 2002 Elsevier Science Ltd. All rights reserved.