cyclobutyl[(trimethylsilyl)oxy]acetonitrile | 1042662-37-2

• 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: cyclobutyl[(trimethylsilyl)oxy]acetonitrile
• 英文别名: 2-cyclobutyl-2-((trimethylsilyl)oxy)acetonitrile；Cyclobutyl-trimethylsilanyloxy-acetonitrile；2-cyclobutyl-2-trimethylsilyloxyacetonitrile
• CAS: 1042662-37-2
• 化学式: C₉H₁₇NOSi
• 分子量: 183.326
• InChiKey: VUGKSNUXFMGBKA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.53
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  33
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  cyclobutyl[(trimethylsilyl)oxy]acetonitrile 在 盐酸 作用下， 以42%的产率得到cyclobutyl(hydroxy)acetic acid
  参考文献：
  名称：

  Thiol-based angiotensin-converting enzyme 2 inhibitors: P1 modifications for the exploration of the S1 subsite

  摘要：

  Screening of a metalloprotease library led to the identification of a thiol-based dual ACE/NEP inhibitor as a potent ACE2 inhibitor. Modifications of the P-1 benzyl moiety led to improvements in ACE2 potency as well as to increased selectivity versus ACE and NEP. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.11.048
• 作为产物：
  描述：

  环丁基甲酸 在 lithium aluminium tetrahydride 、 pyridinium chlorochromate 、 zinc(II) iodide 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 反应 2.5h， 生成 cyclobutyl[(trimethylsilyl)oxy]acetonitrile
  参考文献：
  名称：

  芳环在肾上腺素胺中的重要性。5.作为苯基乙醇胺N-甲基转移酶抑制剂的苯基乙醇胺的非芳族类似物：疏水和空间相互作用的作用。

  摘要：

  DOI：

  10.1021/jm00133a003

文献信息

• 10.1016/j.tet.2024.134068
  作者：Sosunovych, Bohdan S.、Timokhin, Oleksii S.、Kucher, Olexandr V.、Demianyk, Nadiia Y.、Hys, Denys V.、Zvarych, Yelyzaveta A.、Smolii, Oleg B.、Vashchenko, Bohdan V.、Grygorenko, Oleksandr O.

  DOI：10.1016/j.tet.2024.134068

  日期：——

  Synthesis and enzymatic resolution of a new class of alicyclic and heterocyclic mandelic acid derivatives was described. The method relied on the preparation of cyanohydrins from the commercially available aldehydes followed by hydrolysis to corresponding racemic hydroxy esters that were used in the resolution with the enzyme. An alternative approach was proposed for compounds that were not suitable

  描述了一类新型脂环族和杂环扁桃酸衍生物的合成和酶促拆分。该方法依赖于从市售醛制备氰醇，然后水解成相应的外消旋羟基酯，用于用酶进行拆分。对于不适合此程序的化合物提出了替代方法。对于选定的实施例，使用随后的酯水解、随后非对映体盐的对映体富集重结晶来合成相应的扁桃酸类似物。
• Importance of the aromatic ring in adrenergic amines. 5. Nonaromatic analogs of phenylethanolamine as inhibitors of phenylethanolamine N-methyltransferase: role of hydrophobic and steric interactions
  作者：William C. Vincek、Constance S. Aldrich、Ronald T. Borchardt、Gary L. Grunewald

  DOI：10.1021/jm00133a003

  日期：1981.1
• Thiol-based angiotensin-converting enzyme 2 inhibitors: P1 modifications for the exploration of the S1 subsite
  作者：David N. Deaton、Enoch N. Gao、Kevin P. Graham、Jeffrey W. Gross、Aaron B. Miller、John M. Strelow

  DOI：10.1016/j.bmcl.2007.11.048

  日期：2008.1

  Screening of a metalloprotease library led to the identification of a thiol-based dual ACE/NEP inhibitor as a potent ACE2 inhibitor. Modifications of the P-1 benzyl moiety led to improvements in ACE2 potency as well as to increased selectivity versus ACE and NEP. (c) 2007 Elsevier Ltd. All rights reserved.