{(2-Allyl-4-methoxy-phenyl)-[(S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-but-3-enoyl]-amino}-acetic acid tert-butyl ester | 500872-48-0

• 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: {(2-Allyl-4-methoxy-phenyl)-[(S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-but-3-enoyl]-amino}-acetic acid tert-butyl ester
• 英文别名: tert-butyl 2-(N-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)but-3-enoyl]-4-methoxy-2-prop-2-enylanilino)acetate
• CAS: 500872-48-0
• 化学式: C₃₅H₃₈N₂O₆
• 分子量: 582.697
• InChiKey: CSTHGOYOMLACDN-PMERELPUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  43
• 可旋转键数：
  14
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  94.2
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  {(2-Allyl-4-methoxy-phenyl)-[(S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-but-3-enoyl]-amino}-acetic acid tert-butyl ester 在 Ru-containing catalyst 吡啶 、 二乙胺 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 生成 ((Z)-(S)-8-Methoxy-2-oxo-3-phenylmethanesulfonylamino-3,6-dihydro-2H-benzo[b]azocin-1-yl)-acetic acid
  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：

  4-甲氧基-2-(丙-2-烯-1-基)苯胺 在 碳酸氢钠 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 46.0h， 生成 {(2-Allyl-4-methoxy-phenyl)-[(S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-but-3-enoyl]-amino}-acetic acid tert-butyl ester
  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

• 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.