2-(1-苄基四唑-5-基)乙酸 | 64953-18-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-(1-苄基四唑-5-基)乙酸
• 英文名称: (1-Benzyl-2H-tetrazol-5-yl)essigsaeure
• 英文别名: (1-benzyl-1H-tetrazol-5-yl)-acetic acid；(1-Benzyl-1H-tetrazol-5-yl)acetic acid；2-(1-benzyltetrazol-5-yl)acetic acid
• CAS: 64953-18-0
• 化学式: C₁₀H₁₀N₄O₂
• 分子量: 218.215
• InChiKey: ZKNAPHWBCZSHKN-UHFFFAOYSA-N

物化性质

• 沸点：
  524.5±39.0 °C(Predicted)
• 密度：
  1.39±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  80.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(1-苄基四唑-5-基)乙酸 在 dirhodium tetraacetate 、 p-(C₁₂H₂₅)C₆H₄SO₂N₃ 、 氢氟酸 、 二丁基镁 、 三乙胺 、 N,N-二异丙基乙胺 、 N,N'-羰基二咪唑 、 乙腈 作用下， 以 二氯甲烷 、 水 、 乙腈 为溶剂， 生成 Phosphoric acid (5R,6S)-2-(1-benzyl-1H-tetrazol-5-yl)-6-((R)-1-hydroxy-ethyl)-7-oxo-1-aza-bicyclo[3.2.0]hept-2-en-3-yl ester diphenyl ester
  参考文献：
  名称：

  Total synthesis of 3-(5-tetrazolyl)carbapenems

  摘要：

  DOI：

  10.1021/ja00318a042
• 作为产物：
  描述：

  2-(1-苄基四唑-5-基)乙酸乙酯 生成 2-(1-苄基四唑-5-基)乙酸
  参考文献：
  名称：

  Total synthesis of 3-(5-tetrazolyl)carbapenems

  摘要：

  DOI：

  10.1021/ja00318a042

文献信息

• Synthesis Optimization, Scale-Up, and Catalyst Screening Efforts toward the MGAT2 Clinical Candidate, BMS-963272
  作者：James Kempson、Xiaoping Hou、Jung-Hui Sun、Michael Wong、Joseph Pawluczyk、Jianqing Li、Subramaniam Krishnananthan、Eric M. Simmons、Yi Hsiao、Yi-Xin Li、Dawn Sun、Dauh-Rurng Wu、Wei Meng、Saleem Ahmad、Lidet Negash、Robert Brigance、Huji Turdi、Jon J. Hangeland、R. Michael Lawrence、Pratik Devasthale、Jeffrey A. Robl、Arvind Mathur

  DOI：10.1021/acs.oprd.2c00036

  日期：2022.4.15

  This paper describes the efficient scale-up synthesis of 1 (BMS-963272) which relies upon a highly selective Mannich-type alkylation strategy to stereospecifically install a quaternary carbon center. An intramolecular cyclization reaction is also used to form the aryl dihydropyridone (ADHP) core. The optimized route has been demonstrated to provide more than 100 g of active pharmaceutical ingredient

  本文描述了1 (BMS-963272) 的有效放大合成，该合成依赖于高选择性曼尼希型烷基化策略以立体定向安装季碳中心。分子内环化反应也用于形成芳基二氢吡啶酮 (ADHP) 核心。已证明优化的路线可为临床前毒理学评估提供超过 100 g 的活性药物成分。作为互补收敛方法的一部分，还讨论了催化剂筛选工作，这将有助于更方便地评估在 ADHP 核心的 C4 位具有芳基多样性的备用分子。
• Synthesis of 2-(Tetrazolylacetyl)cyclohexane-1,3-diones
  作者：T. S. Khlebnicova、V. G. Zinovich、Yu. A. Piven、A. V. Baranovsky、F. A. Lakhvich、R. E. Trifonov

  DOI：10.1134/s1070363221080028

  日期：2021.8
• Aqueous polishing liquid and chemical mechanical polishing method
  申请人：Kato Tomo

  公开号：US20070069176A1

  公开（公告）日：2007-03-29

  An aqueous polishing liquid is provided that includes an oxidizing agent, a five-membered monocyclic compound having at least three nitrogen atoms or a compound in which a hetero ring is fused to said compound, and a compound having an imidazole skeleton or an isothiazolin-3-one skeleton. The five-membered monocyclic compound having at least three nitrogen atoms and/or the compound in which a hetero ring is fused to said compound is used at a total concentration of less than 300 mg/L, and the compound having an imidazole skeleton or an isothiazolin-3-one skeleton is used at a concentration of at least 10 mg/L but no greater than 500 mg/L. There is also provided a chemical mechanical polishing method that includes a step of polishing by making a surface to be polished and a polishing surface move relative to each other while being in contact with each other in the presence of the aqueous polishing liquid.
• Metal-polishing liquid and chemical mechanical polishing method using the same
  申请人：Yamashita Katsuhiro

  公开号：US20070186484A1

  公开（公告）日：2007-08-16

  The invention provides a metal polishing liquid comprising an oxidizing agent and colloidal silica in which a part of a surface of the colloidal silica is covered with aluminum atoms, and a Chemical Mechanical Polishing method using the same. An amino acid, a compound having an isothiazoline-3-one skeleton, an organic acid, a passivated film forming agent, a cationic surfactant, a nonionic surfactant, and a water-soluble polymer may be contained. A metal polishing liquid which is used in Chemical Mechanical Polishing in manufacturing of a semiconductor device, attains low dishing of a subject to be polished, and can perform polishing excellent in in-plane uniformity of a surface to be polished.
• POLISHING COMPOSITION AND METHOD OF POLISHING WITH THE SAME
  申请人：Takenouchi Kenji

  公开号：US20070287362A1

  公开（公告）日：2007-12-13

  A polishing composition comprises: at least one compound selected from tetrazole compounds and derivatives thereof and anthranilic acid compounds and derivatives thereof; abrasive particles comprising associative abrasive particles; and an oxidizing agent.