cyclobutylphenylacetic acid | 123078-51-3

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 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: cyclobutylphenylacetic acid
• 英文别名: α-cyclobutylphenylacetic acid；2-Cyclobutyl-2-phenylacetic acid
• CAS: 123078-51-3
• 化学式: C₁₂H₁₄O₂
• 分子量: 190.242
• InChiKey: DNIXVNVJYYYXSW-UHFFFAOYSA-N

物化性质

• 沸点：
  320.9±11.0 °C(Predicted)
• 密度：
  1.180±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  cyclobutylphenylacetic acid 在 吡啶 、 氯化亚砜 作用下， 以 苯 为溶剂， 反应 8.0h， 生成 methyl cyclobutylphenylacetate
  参考文献：
  名称：

  Ring and carbon-oxygen bond fragmentation as tools for fingerprinting the extent of homolysis during base-catalyzed carbon-carbon bond cleavages of the Haller-Bauer, Cram, and Gilday types

  摘要：

  DOI：

  10.1021/jo00282a020
• 作为产物：
  描述：

  (2S,3S)-3-Cyclobutyl-3-phenyl-oxirane-2-carboxylic acid ethyl ester 在 氢氧化钾 、 sodium hydroxide 、 silver nitrate 作用下， 以 乙醇 、 水 为溶剂， 反应 44.0h， 生成 cyclobutylphenylacetic acid
  参考文献：
  名称：

  Ring and carbon-oxygen bond fragmentation as tools for fingerprinting the extent of homolysis during base-catalyzed carbon-carbon bond cleavages of the Haller-Bauer, Cram, and Gilday types

  摘要：

  DOI：

  10.1021/jo00282a020

文献信息

• NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS
  申请人：Stewart Andrew O.

  公开号：US20100130558A1

  公开（公告）日：2010-05-27

  The present application relates to calcium channel inhibitors containing compounds of formula (I) wherein L 1 , L 2 , R 1 , R 2 , and R 3 are as defined in the specification. The present application also relates to compositions comprising such compounds, and methods of treating conditions and disorders using such compounds and compositions.

  本申请涉及含有式（I）化合物的钙通道抑制剂，其中L1、L2、R1、R2和R3如规范中所定义。本申请还涉及包含这种化合物的组合物，以及使用这种化合物和组合物治疗疾病和疾病的方法。
• Iron-Catalyzed Asymmetric Decarboxylative Azidation
  作者：Kaikai Wang、Yajun Li、Xiaoyan Li、Daliang Li、Hongli Bao

  DOI：10.1021/acs.orglett.1c03355

  日期：2021.11.19

  The first iron-catalyzed asymmetric azidation of benzylic peresters has been reported with trimethylsilyl azide (TMSN3) as the azido source. Hydrocarbon radicals that lack of strong interactions were capable to be enantioselectively azidated. The reaction features good functional group tolerance, high yields, and mild conditions. The chiral benzylic azides can further be used in click reaction, phosphoramidation

  已经报道了以三甲基甲硅烷基叠氮化物 (TMSN 3 ) 作为叠氮源的第一次铁催化的苄基过酸酯的不对称叠氮化。缺乏强相互作用的烃基能够被对映选择性叠氮化。该反应具有官能团耐受性好、产率高、条件温和等特点。手性苄基叠氮化物可进一步用于点击反应、磷酰胺化和还原胺化，这证明了该反应的合成价值。
• Alkyl Esters Of Cyclic Amino Alcohols With Muscarinic M3 Receptor Antagonist Activity, Useful For Treating E.G. Chronic Bronchial Obstruction, Asthma And Overactive Bladder
  申请人：Bailey Andrew

  公开号：US20090233965A1

  公开（公告）日：2009-09-17

  The invention provides compounds of formula (I), wherein R 1 , R 2 , R 3 , R 4 , R 5 and X are as defined in the specification, a process for their preparation, pharmaceutical compositions containing them, a process for preparing pharmaceutical compositions and their use in therapy (I).

  本发明提供了公式（I）的化合物，其中R1，R2，R3，R4，R5和X如规范中所定义，以及它们的制备方法，包含它们的药物组合物，制备药物组合物的方法以及它们在治疗中的应用。
• J-104129, a novel muscarinic M3 receptor antagonist with high selectivity for M3 over M2 receptors
  作者：Morihiro Mitsuya、Toshiaki Mase、Yoshimi Tsuchiya、Kumiko Kawakami、Hiromi Hattori、Kensuke Kobayashi、Yoshio Ogino、Toru Fujikawa、Akio Satoh、Toshifumi Kimura、Kazuhito Noguchi、Norikazu Ohtake、Koji Tomimoto

  DOI：10.1016/s0968-0896(99)00177-7

  日期：1999.11

  A new class of 4-acetamidopiperidine derivatives has been synthesized and investigated for human muscarinic receptor subtype selectivity. Introduction of a hydrocarbon chain of appropriate length into the piperidine nitrogen of the racemic N-(piperidin-4-yl)-2-cyclobutyl-2-hydroxy-2-phenylacetamide platform conferred up to 70-fold selectivity for human muscarinic M-3 receptors over M-2 receptors. Subsequent synthetic derivatizations resulted in highly potent M-3 receptor antagonists with selectivity greater than two orders of magnitude for M-3 over M-2 receptors, from which the analogue 4r was selected. Preparation of both enantiomers of 4r led to the identification of (2R)-N-[1-(4-methyl-3-pentenyl)piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide (J-104129, (R)-4r), which exhibited 120-fold selectivity for Mg receptors (K-i = 4.2 nM) over M-2 receptors (K-i = 490 nM). In isolated rat trachea, (R)-4r potently and specifically antagonized acetylcholine (ACh)-induced responses with a K-B value of 3.3 nM. The highly subtype-selective profile was also seen in isolated rat tissue assays (50-fold) and in anesthetized rats (> 250-fold). Oral administration of J-104129 ((R)-4r) antagonized ACh-induced bronchoconstriction with an ED50 value of 0.58 mg/kg in rats. Thus, J-104129 ((R)-4r) may effectively facilitate bronchodilation in the treatment of obstructive airway disease. (C) 1999 Elsevier Science Ltd. All rights reserved.
• WO2007/123465
  申请人：——

  公开号：——

  公开（公告）日：——