(E)-2-(tert-butyldiphenylsilyloxymethyl)-4-hydroxy-2-butenenitrile | 639008-45-0

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: (E)-2-(tert-butyldiphenylsilyloxymethyl)-4-hydroxy-2-butenenitrile
• 英文别名: (E)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxybut-2-enenitrile
• CAS: 639008-45-0
• 化学式: C₂₁H₂₅NO₂Si
• 分子量: 351.521
• InChiKey: DBXMWPFGJJJCMM-NBVRZTHBSA-N

物化性质

• 沸点：
  472.4±45.0 °C(Predicted)
• 密度：
  1.08±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.01
• 重原子数：
  25
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  53.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (E)-2-(tert-butyldiphenylsilyloxymethyl)-4-hydroxy-2-butenenitrile 在 4 A molecular sieve 、 三氟化硼乙醚 、 溶剂黄146 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 水 为溶剂， 反应 6.5h， 生成 垂盆钞草甙(治肝炎药),垂盆草甙
  参考文献：
  名称：

  A Facile and Convergent Synthesis of Sarmentosin

  摘要：

  A concise synthesis of sarmentosin (1) starting from butane-1,2,4-triol-1,2-acetonide is described. This convergent route can also be employed for the preparation of sarmentosin analogues for structure-activity relationship studies.

  DOI：

  10.1081/scc-120023993
• 作为产物：
  描述：

  (E)-2-(tert-butyldiphenylsilyloxymethyl)-4-(4-methoxy-benzyloxy)-2-butenenitrile 在 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以 氯仿 、 水 为溶剂， 反应 2.0h， 以90%的产率得到(E)-2-(tert-butyldiphenylsilyloxymethyl)-4-hydroxy-2-butenenitrile
  参考文献：
  名称：

  A Facile and Convergent Synthesis of Sarmentosin

  摘要：

  A concise synthesis of sarmentosin (1) starting from butane-1,2,4-triol-1,2-acetonide is described. This convergent route can also be employed for the preparation of sarmentosin analogues for structure-activity relationship studies.

  DOI：

  10.1081/scc-120023993

文献信息

• Synthesis of aglycon analogues of sarmentosin and Their bioactivity of lymphocyte proliferation
  作者：Hong Zhang、Rui Xu、Zhongliang Hu、Xuchang He、Donglu Bai、Xiaoyu Li、Xiaofeng Wang

  DOI：10.1016/s0960-894x(02)00801-6

  日期：2002.12

  A number of aglycon analogues of sarmentosin were prepared and their bioactivities on the proliferation of T-lymphocytes and B-lymphocytes were assayed. (C) 2002 Elsevier Science Ltd. All rights reserved.
• NOVEL LINKER DRUGS COMPRISING PHOSPHOANTIGENS, NOVEL CONJUGATES AND THEIR USE IN THERAPY
  申请人：[en]BYONDIS B.V.

  公开号：WO2024133374A1

  公开（公告）日：2024-06-27

  The present invention relates to novel linker drug compounds based on specific phosphoantigens (pAg) with the general structure reflected in formula (I), wherein L represents a linking moiety (linker) and, W1, W2, X1-5, x, m, n and R1-4are as defined in the specification. Further provided are conjugates comprising a targeting moiety, preferably a tumor-targeting antibody or antigen binding fragment thereof, covalently linked to a linker drug compound according to the invention. Such conjugates can be used, for example, in the treatment of diseases such as cancer, infection, or autoimmune disease.
• A Facile and Convergent Synthesis of Sarmentosin
  作者：Xu, Rui、Bai, Donglu

  DOI：10.1081/scc-120023993

  日期：2003.9

  A concise synthesis of sarmentosin (1) starting from butane-1,2,4-triol-1,2-acetonide is described. This convergent route can also be employed for the preparation of sarmentosin analogues for structure-activity relationship studies.