Cis-(2S,5S)-2-(tert-butyl)-5-phenyl-1,3-dioxolan-4-one | 666835-66-1

• 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: Cis-(2S,5S)-2-(tert-butyl)-5-phenyl-1,3-dioxolan-4-one
• 英文别名: 2-Tert-butyl-5-phenyl-1,3-dioxolan-4-one
• CAS: 666835-66-1
• 化学式: C₁₃H₁₆O₃
• 分子量: 220.268
• InChiKey: ASTUNMYDURHXIM-UHFFFAOYSA-N

物化性质

• 沸点：
  331.3±30.0 °C(Predicted)
• 密度：
  1.113±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Cis-(2S,5S)-2-(tert-butyl)-5-phenyl-1,3-dioxolan-4-one 、 烯丙基三甲基硅烷 在 iron(III) chloride 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 以76%的产率得到2-((2,2-dimethylhex-5-en-3-yl)oxy)-2-phenylacetic acid
  参考文献：
  名称：

  Lewis acid-mediated mono- and bis-addition of C -nucleophiles to 1,3-dioxolan-4-ones

  摘要：

  The reactions of 1,3-dioxolan-4-ones, readily available from a-hydroxy acids and aldehydes, with C-nucleophiles are described. Two possible reaction pathways resulting in O-substituted acids and tri-(hetero)arylmethanes are shown. (C) 2018 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2018.06.060
• 作为产物：
  描述：

  (S)-(+)-扁桃酸 以88的产率得到Cis-(2S,5S)-2-(tert-butyl)-5-phenyl-1,3-dioxolan-4-one
  参考文献：
  名称：

  Soft anticholinergic esters

  摘要：

  以下是化学式：其中R1和R2都是苯基，或者R1和R2中有一个是苯基，另一个是环戊基；R是C1-C8的直链或支链烷基；X-是带有单负电荷的阴离子；每个星号表示一个手性中心；该化合物在每个手性中心具有R、S或RS立体异构构型，除非另有说明，或为混合物。

  公开号：

  US20070123557A1

文献信息

• [EN] BIARYL DERIVATIVES AS YAP/TAZ-TEAD PROTEIN-PROTEIN INTERACTION INHIBITORS<br/>[FR] DÉRIVÉS BIARYLE EN TANT QU'INHIBITEURS D'INTERACTION PROTÉINE-PROTÉINE YAP/TAZ-TEAD
  申请人：NOVARTIS AG

  公开号：WO2021186324A1

  公开（公告）日：2021-09-23

  The present invention provides a compound of formula (I) or a pharmaceutically acceptable salt thereof; (I) a method for manufacturing said compound, and its therapeutic uses. The present invention further provides a combination of pharmacologically active agents and a pharmaceutical composition comprising said compound.

  本发明提供了化合物(I)或其药学上可接受的盐；(I)制造所述化合物的方法及其治疗用途。本发明还提供了药理活性剂的组合物和包括所述化合物的药物组合。
• [EN] MUSCARINIC RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES DE RECEPTEURS MUSCARINIQUES
  申请人：RANBAXY LAB LTD

  公开号：WO2006035303A1

  公开（公告）日：2006-04-06

  This present invention generally relates to muscarinic receptor antagonists of Formula (I), which are useful, among other uses, for the treatment of various diseases of the respiratory, urinary and gastrointestinal systems mediated through muscarinic receptors. The invention also relates to the process for the prepration of disclosed compounds, pharmaceutical compositions containing the disclosed compounds, and the methods for treating diseases mediated through muscarinic receptors.

  本发明通常涉及公式（I）的肌氨酸受体拮抗剂，该类拮抗剂可用于治疗通过肌氨酸受体介导的呼吸系统、泌尿系统和消化系统的各种疾病，此外，该发明还涉及所述化合物的制备过程、含有所述化合物的药物组合物，以及治疗通过肌氨酸受体介导的疾病的方法。
• A remarkable iodine-catalyzed protection of carbonyl compounds
  作者：Bimal K. Banik、Marin Chapa、Jocabed Marquez、Magda Cardona

  DOI：10.1016/j.tetlet.2005.01.176

  日期：2005.3

  report here a remarkably simple molecular iodine-catalyzed protection method for various carbonyl compounds as ketals in a general reaction. The iodine-catalyzed reaction of mandelic acid and lactic acid with several aldehydes has furnished a highly diastereoselective synthesis of cis and trans dioxolanones.

  我们在这里报告了一种在一般反应中作为缩酮的各种羰基化合物的非常简单的分子碘催化的保护方法。扁桃酸和乳酸与几种醛的碘催化反应提供了顺式和反式二氧戊环酮的高度非对映选择性合成。
• [EN] PROCESSES FOR MAKING, AND METHODS OF USING, GLYCOPYRRONIUM COMPOUNDS<br/>[FR] PROCÉDÉS DE FABRICATION ET PROCÉDÉS D'UTILISATION DE COMPOSÉS GLYCOPYRRONIUM
  申请人：DERMIRA INC

  公开号：WO2018026869A1

  公开（公告）日：2018-02-08

  Provided herein are processes for making and methods of using salts of glycopyrronium, including solid forms and forms suitable for use as topicals. Disclosed here are processes for making salts of glycopyrronium, also processes for making compositions comprising salts of glycopyrronium, and methods of treating hyperhidrosis with salts of glycopyrronium as well as with compositions comprising salts of glycopyrronium such as, but not limited to, topical compositions. Disclosed herein are methods of treating hyperhidrosis including administering salts of glycopyrronium to subjects in need thereof.

  本文提供了制备和使用格隆铵盐的方法，包括固体形式和适合用作局部药物的形式。本文披露了制备格隆铵盐的方法，还包括制备含有格隆铵盐的组合物的方法，以及使用格隆铵盐治疗多汗症的方法，以及使用含有格隆铵盐的组合物治疗多汗症的方法，例如但不限于局部组合物。本文披露了治疗多汗症的方法，包括向需要的受试者施用格隆铵盐。
• Production method of 2-cyclohexyl- 2-hydroxy-2-phenylacetic acid intermediate therefor and production method thereof
  申请人：Sumika Fine Chemicals Co., Ltd.

  公开号：US20030013911A1

  公开（公告）日：2003-01-16

  The present invention relates to production of 2-cyclohexyl-2-hydroxy-2-phenylacetic acid useful as an intermediate for pharmaceutical products, by an industrial means, economically, safely in a good yield. Novel 2-(2′-cyclohexen-1′-yl)-2-hydroxy-2-phenylacetic acid ester obtained by reacting cyclohexene and benzoylformic acid ester in the presence of a Lewis acid is hydrolyzed and reduced to give 2-cyclohexyl-2-hydroxy-2-phenylacetic acid.

  本发明涉及通过工业手段，经济、安全地以高产率生产用作制药产品中间体的2-环己基-2-羟基-2-苯乙酸。通过在Lewis酸存在下将环己烯和苯甲酰甲酸酯反应得到的新型2-(2′-环己烯-1′-基)-2-羟基-2-苯乙酸酯被水解和还原以得到2-环己基-2-羟基-2-苯乙酸。