3-(4-硼苯基)环丁烷酮亚乙基缩酮 | 254892-99-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 3-(4-硼苯基)环丁烷酮亚乙基缩酮
• 英文名称: 3-(4-boronophenyl)cyclobutanone ethylene ketal
• 英文别名: 3-(4-boronophenyl)-cyclobutanone ethylene ketal；[4-(5,8-dioxaspiro[3.4]octan-2-yl)phenyl]boronic Acid
• CAS: 254892-99-4
• 化学式: C₁₂H₁₅BO₄
• mdl: MFCD04039007
• 分子量: 234.06
• InChiKey: FZICXFYHRSMPIV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.05
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  58.9
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xi

反应信息

• 作为反应物：
  描述：

  3-(4-硼苯基)环丁烷酮亚乙基缩酮 在 盐酸 作用下， 以 甲醇 、 乙醇 、 水 为溶剂， 反应 4.0h， 生成 [4-(6,8-Dioxo-5,7-diazaspiro[3.4]octan-2-yl)phenyl]boronic acid
  参考文献：
  名称：

  4-Dihydroxyborylphenyl Analogues of 1-Aminocyclobutanecarboxylic Acids:  Potential Boron Neutron Capture Therapy Agents

  摘要：

  A series of 4-dihydroxyborylphenyl analogues of an unnatural alpha-amino acid, 1-aminocyclobutanecarboxylic acid (ACBC), was synthesized. Varying numbers of methylene units were introduced between the 4-boronophenyl and ACBC moieties in order to introduce different degrees of lipophilicity into the molecules. The key step in the syntheses was the preparation of the precursor p-boronophenyl-substituted cyclobutanones which were subsequently converted to the desired amino acids via the Bucherer-Strecker reaction.

  DOI：

  10.1021/jo990878c
• 作为产物：
  描述：

  3-(4-溴苯基)环丁烷酮 在 正丁基锂 、 对甲苯磺酸 作用下， 以 四氢呋喃 、 正己烷 、 苯 为溶剂， 反应 21.0h， 生成 3-(4-硼苯基)环丁烷酮亚乙基缩酮
  参考文献：
  名称：

  4-Dihydroxyborylphenyl Analogues of 1-Aminocyclobutanecarboxylic Acids:  Potential Boron Neutron Capture Therapy Agents

  摘要：

  A series of 4-dihydroxyborylphenyl analogues of an unnatural alpha-amino acid, 1-aminocyclobutanecarboxylic acid (ACBC), was synthesized. Varying numbers of methylene units were introduced between the 4-boronophenyl and ACBC moieties in order to introduce different degrees of lipophilicity into the molecules. The key step in the syntheses was the preparation of the precursor p-boronophenyl-substituted cyclobutanones which were subsequently converted to the desired amino acids via the Bucherer-Strecker reaction.

  DOI：

  10.1021/jo990878c

文献信息

• 6-O-carbamoyl ketolide antibacterials
  申请人：Ortho-McNeil Pharmaceutical, Inc.

  公开号：US06613747B2

  公开（公告）日：2003-09-02

  6-O-Carbamoyl ketolide antibacterials of the formula: wherein R1, R2, R3, R4, R5, R6, X, X′, Y, and Y′ are as described herein and in which the substituents have the meaning indicated in the description. These compounds are useful as antibacterial agents.

  其中R1、R2、R3、R4、R5、R6、X、X'、Y和Y'如本文所述，并且其中取代基具有描述中指示的含义。这些化合物可用作抗菌剂。
• 6-0-carbamoyl ketolide antibacterials
  申请人：——

  公开号：US20020115620A1

  公开（公告）日：2002-08-22

  6-O-Carbamoyl ketolide antibacterials of the formula: 1 wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , X, X′, Y, and Y′ are as described herein and in which the substituents have the meaning indicated in the description. These compounds are useful as antibacterial agents.

  其中R1、R2、R3、R4、R5、R6、X、X'、Y和Y'如本文所述，并且其中取代基具有描述中指示的含义。这些化合物可用作抗菌剂。
• 4-Dihydroxyborylphenyl Analogues of 1-Aminocyclobutanecarboxylic Acids:  Potential Boron Neutron Capture Therapy Agents
  作者：Rajiv R. Srivastava、Robert R. Singhaus、George W. Kabalka

  DOI：10.1021/jo990878c

  日期：1999.11.1

  A series of 4-dihydroxyborylphenyl analogues of an unnatural alpha-amino acid, 1-aminocyclobutanecarboxylic acid (ACBC), was synthesized. Varying numbers of methylene units were introduced between the 4-boronophenyl and ACBC moieties in order to introduce different degrees of lipophilicity into the molecules. The key step in the syntheses was the preparation of the precursor p-boronophenyl-substituted cyclobutanones which were subsequently converted to the desired amino acids via the Bucherer-Strecker reaction.