1-O-benzyl 4-O-tert-butyl 2-propan-2-ylbutanedioate | 894147-72-9

• 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: 1-O-benzyl 4-O-tert-butyl 2-propan-2-ylbutanedioate
• CAS: 894147-72-9
• 化学式: C₁₈H₂₆O₄
• 分子量: 306.402
• InChiKey: JAGFNESZUUFLPS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  22
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-O-benzyl 4-O-tert-butyl 2-propan-2-ylbutanedioate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 以30%的产率得到4-Methyl-3-phenylmethoxycarbonylpentanoic acid
  参考文献：
  名称：

  Synthesis, SAR exploration, and X-ray crystal structures of factor XIa inhibitors containing an α-ketothiazole arginine

  摘要：

  Using an alpha-ketothiazole arginine moiety as a key recognition element, a series of small peptidomimetic molecules was designed and synthesized, and their co-crystal structures with factor XIa were Studied in an effort to develop smaller, less peptidic inhibitors as antithrombotic agents. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.02.052
• 作为产物：
  描述：

  溴乙酸叔丁酯 、 3-甲基丁酸苯甲酯 在 lithium diisopropyl amide 作用下， 以 四氢呋喃 为溶剂， 以48%的产率得到1-O-benzyl 4-O-tert-butyl 2-propan-2-ylbutanedioate
  参考文献：
  名称：

  Synthesis, SAR exploration, and X-ray crystal structures of factor XIa inhibitors containing an α-ketothiazole arginine

  摘要：

  Using an alpha-ketothiazole arginine moiety as a key recognition element, a series of small peptidomimetic molecules was designed and synthesized, and their co-crystal structures with factor XIa were Studied in an effort to develop smaller, less peptidic inhibitors as antithrombotic agents. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.02.052

文献信息

• Process for Producing Aliskiren
  申请人：Taddei Maurizio

  公开号：US20130071899A1

  公开（公告）日：2013-03-21

  A new route of synthesis of the compound Aliskiren of formula (I), used in the treatment of hypertension, is described.

  描述了一种用于治疗高血压的化合物阿利司钠（分子式为（I））的新合成途径。
• PROCESS FOR PRODUCING ALISKIREN
  申请人：Chemo Iberica, S.A.

  公开号：EP2576500A2

  公开（公告）日：2013-04-10
• US9346745B2
  申请人：——

  公开号：US9346745B2

  公开（公告）日：2016-05-24
• [EN] PROCESS FOR PRODUCING ALISKIREN<br/>[FR] PROCÉDÉ DE PRODUCTION D'ALISKIREN
  申请人：CHEMO IBERICA SA

  公开号：WO2011151442A2

  公开（公告）日：2011-12-08

  A new route of synthesis of the compound Aliskiren of formula (I), used in the treatment of hypertension, is described.
• Synthesis, SAR exploration, and X-ray crystal structures of factor XIa inhibitors containing an α-ketothiazole arginine
  作者：Hongfeng Deng、Thomas D. Bannister、Lei Jin、Robert E. Babine、Jesse Quinn、Pamela Nagafuji、Cassandra A. Celatka、Jian Lin、Tsvetelina I. Lazarova、Michael J. Rynkiewicz、Frank Bibbins、Pramod Pandey、Joan Gorga、Harold V. Meyers、Sherin S. Abdel-Meguid、James E. Strickler

  DOI：10.1016/j.bmcl.2006.02.052

  日期：2006.6

  Using an alpha-ketothiazole arginine moiety as a key recognition element, a series of small peptidomimetic molecules was designed and synthesized, and their co-crystal structures with factor XIa were Studied in an effort to develop smaller, less peptidic inhibitors as antithrombotic agents. (c) 2006 Elsevier Ltd. All rights reserved.