异丙基2-异丙基苯基醚 | 14366-59-7

• 物质功能分类: 分析化学 - 标准品 - 药典标准品和杂质标准品
• 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: 异丙基2-异丙基苯基醚
• 英文名称: 1-isopropoxy-2-isopropylbenzene
• 英文别名: isopropyl-(2-isopropyl-phenyl)-ether；Isopropyl-(2-isopropyl-phenyl)-aether；Isopropyl-o-cumenyl-aether；2-Isopropyloxy-cumol；o-Isopropoxycumol；Isopropyl 2-Isopropylphenyl Ether；1-propan-2-yl-2-propan-2-yloxybenzene
• CAS: 14366-59-7
• 化学式: C₁₂H₁₈O
• mdl: MFCD20390306
• 分子量: 178.274
• InChiKey: KPXDDAHZRPCKJH-UHFFFAOYSA-N

物化性质

• 溶解度：
  氯仿（微溶）、乙酸乙酯（微溶）

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

制备方法与用途

丙泊酚 EP 杂质 K 可用作有机合成中间体和医药中间体，主要应用于实验室研发及化工生产过程。

反应信息

• 作为反应物：
  描述：

  异丙基2-异丙基苯基醚 在 aluminum (III) chloride 、 sodium hydride 作用下， 生成 3-isopropyl-4-isopropoxyacetophenone
  参考文献：
  名称：

  Synthesis and SAR of 1,3-thiazolyl thiophene and pyridine derivatives as potent, orally active and S1P3-sparing S1P1 agonists

  摘要：

  We have previously disclosed 1,2,4-oxadiazole derivative 3 as a potent S1P(3)-sparing S1P(1) agonist. Although compound 3 exhibits potent and manageable immunosuppressive efficacy in various in vivo models, recent studies have revealed that its 1,2,4-oxadiazole ring is subjected to enterobacterial decomposition. As provisions for unpredictable issues, a series of alternative compounds were synthesized on the basis of compound 3. Extensive SAR studies led to the finding of 1,3-thiazole 24c with the EC50 value of 3.4 nM for human S1P(1), and over 5800-fold selectivity against S1P(3). In rat on host versus graft reaction (HvGR), the ID50 value of 24c was determined at 0.07 mg/kg. The pharmacokinetics in rat and monkey is also reported. Compared to compound 3, 24c showed excellent stability against enterobacteria. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.03.067
• 作为产物：
  描述：

  1-异丙氧基苯 在 二叔丁基过氧化物 作用下， 生成 异丙基2-异丙基苯基醚
  参考文献：
  名称：

  Thermal and Photolytic Decompositions of Azobis(2-phenoxy)-2-propane

  摘要：

  研究人员对偶氮二(2-苯氧基)-2-丙烷的热分解和光分解进行了研究。由此产生的 2-苯氧基丙-2-基自由基有一半以上会在热作用下使苯基从氧转移到碳上，然后消除甲基。剩余的大部分自由基从溶剂中抽取氢。当使用苯醚作为溶剂时，会发生芳香族同解取代反应，生成异丙苯衍生物。虽然还不能完全断定，但从机理上看，这是一种新型的反应，因为离开基团的一部分构成了进入基团的一部分。

  DOI：

  10.1246/bcsj.44.467

文献信息

• Modulators of Cystic Fibrosis Transmembrane Conductance Regulator
  申请人：VERTEX PHARMACEUTICALS INCORPORATED

  公开号：US20160095858A1

  公开（公告）日：2016-04-07

  The present invention features a compound of formula I: or a pharmaceutically acceptable salt thereof, where R 1 , R 2 , R 3 , W, X, Y, Z, n, o, p, and q are defined herein, for the treatment of CFTR mediated diseases, such as cystic fibrosis. The present invention also features pharmaceutical compositions, method of treating, and kits thereof.

  本发明涉及一种具有以下化学式I的化合物： 或其药用可接受的盐，其中R 1 ，R 2 ，R 3 ，W，X，Y，Z，n，o，p和q在此处定义，用于治疗CFTR介导的疾病，如囊性纤维化。本发明还涉及药物组合物、治疗方法和相关工具包。
• PHOSPHONIUM ION CHANNEL BLOCKERS AND METHODS FOR USE
  申请人：Nocion Therapeutics, Inc.

  公开号：US20210128589A1

  公开（公告）日：2021-05-06

  The invention provides compounds of Formula (I), or pharmaceutically acceptable salts thereof: The compounds, compositions, methods and kits of the invention are useful for the treatment of pain, itch, and neurogenic inflammation.

  本发明提供了式(I)的化合物，或其药用可接受的盐： 本发明的化合物、组合物、方法和试剂盒可用于治疗疼痛、瘙痒和神经性炎症。
• [EN] METATHESIS CATALYSTS<br/>[FR] CATALYSEURS DE MÉTATHÈSE
  申请人：MATERIA INC

  公开号：WO2018034931A1

  公开（公告）日：2018-02-22

  This invention relates generally to olefin metathesis catalysts, to the preparation of such compounds, compositions comprising such compounds, methods of using such compounds, and the use of such compounds in the metathesis of olefins and in the synthesis of related olefin metathesis catalysts. The invention has utility in the fields of catalysis, organic synthesis, polymer chemistry, and in industrial applications such as oil and gas, fine chemicals and pharmaceuticals.

  这项发明涉及烯烃转化催化剂，以及制备这类化合物、包含这类化合物的组合物、使用这类化合物的方法，以及在烯烃转化和相关烯烃转化催化剂合成中使用这类化合物。该发明在催化、有机合成、聚合物化学以及工业应用领域具有实用性，如石油和天然气、精细化工和制药业。
• SUBSTITUTED VINYL AND ALKINYL CYCLOHEXENOLS AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS
  申请人：Frackenpohl Jens

  公开号：US20140080704A1

  公开（公告）日：2014-03-20

  The invention relates to substituted vinyl- and alkynylcyclohexenols of the general formula (I) and salts thereof where the R 1 , R 2 , R 3 , R 4 , R 5 , [X—Y] and Q radicals are each as defined in the description, to processes for preparation thereof and to the use thereof for enhancing stress tolerance in plants with respect to abiotic stress, and/or for increasing plant yield.

  该发明涉及通式（I）中的取代乙烯基和炔基环己烯醇及其盐，其中R1、R2、R3、R4、R5、[X—Y]和Q基团如描述中所定义，以及其制备方法和用途，用于增强植物对非生物胁迫的抗逆性，和/或增加植物产量。
• Biologically active compounds
  申请人：Quibell Martin

  公开号：US20090131502A1

  公开（公告）日：2009-05-21

  The present invention relates to compounds of formula (I), and pharmaceutically acceptable salts thereof. The invention further relates to pharmaceutical compositions comprising compounds of formula (I), and the use of such compounds in the treatment of a disease selected from osteoporosis, Paget's disease, Chagas's disease, malaria, gingival diseases, hypercalaemia, metabolic bone disease and diseases involving matrix or cartilate degradation.

  本发明涉及式(I)的化合物及其药学上可接受的盐。本发明还涉及含有式(I)的化合物的药物组合物，以及将这些化合物用于治疗从骨质疏松症、帕盖特病、查加斯病、疟疾、牙龈疾病、高钙血症、代谢性骨病和涉及基质或软骨降解的疾病中选择的疾病。