1,4-dimethyl-2-propyloxybenzene

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1,4-dimethyl-2-propyloxybenzene
• 英文别名: 1,4-Dimethyl-2-propoxybenzene
• 化学式: C₁₁H₁₆O
• mdl: MFCD23713581
• 分子量: 164.247
• InChiKey: ZPKBFIQHUKPFJG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.454
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2,2,2-三氯-1-(4-甲氧基苯基)乙醇 、 1,4-dimethyl-2-propyloxybenzene 在 硫酸 作用下， 生成
  参考文献：
  名称：

  Physicochemical-activity relationships in asymmetrical analogues of methoxychlor

  摘要：

  Compounds of the general formula 2-aryl-2-(p-methoxyphenyl)-1,1,1-trichloroethane have been prepared and tested for toxicity toward houseflies, pretreated for 1 h with 2mug of piperonyl butoxide. The majority of the compounds synthesized were chosen with the aid of computer programs designed to ensurewell-spread sets of minimally correlated physicochemical parameter values. A nonlinear two-dimensional representation was used to map the active region of physiochemical parameter space and a regression equation was obtained relating the observed toxicity to a combination of these physicochemical parameters. The equation indicates that toxicity increases with the hydrophobicity of the molecules but is decreased markedly by the introduction of bulky substituents into the ortho positions of the benzene ring and less markedly by bulky substituents in the meta and para positions. Substituents which donate electrons to the benzene ring by the "resonance" effect favor high toxicity. The equation performs well in forecasting the toxicity of further members of the series.

  DOI：

  10.1021/jm00232a014

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。
• POLYMER COMPOUND AND COMPOSITION CONTAINING THE SAME
  申请人：Mikami Satoshi

  公开号：US20100033086A1

  公开（公告）日：2010-02-11

  A polymer compound comprising as repeating units an optionally substituted fluorenediyl group and a phenylene group having one or more substituents, and comprising a repeating unit of the following formula (1) and/or a group of the following formula (2): (in the formula (1), Ar 1 and Ar 2 represent an arylene group or di-valent aromatic heterocyclic group, and Ar 1 and may be the same or different.) (in the formula (2), Ar 1 represents the same meaning as described above. Ar 3 represents an aryl group or mono-valent aromatic heterocyclic group.).

  一种聚合物化合物，其重复单元包括一个可选取代的芴基基团和一个具有一个或多个取代基的苯基团，并包括以下式(1)的重复单元和/或以下式(2)的基团： （在式（1）中，Ar1和Ar2表示芳烃基团或双价芳香杂环基团，Ar1和Ar2可以相同或不同。） （在式（2）中，Ar1表示与上述相同的含义。Ar3表示芳基团或单价芳香杂环基团。）
• BENZIMIDAZOLE DERIVATIVES AS SELECTIVE BLOCKERS OF PERSISTENT SODIUM CURRENT
  申请人：Allergan, Inc.

  公开号：US20130172342A1

  公开（公告）日：2013-07-04

  The present invention is directed to methods of treating diseases or conditions mediated by elevated persistent sodium channel, such as ocular disorders, pain, multiple sclerosis, and seizure disorders utilizing a compound of Formula I or a pharmaceutically acceptable salt thereof or a pharmaceutical composition comprising said compound, wherein variables R, R 1 , R 2 , R 3 , R 4 , R 5 , m, and n in Formula I are as defined herein.

  本发明涉及使用I式化合物或其药学上可接受的盐或包含该化合物的药物组合物来治疗由持续性钠通道升高引起的疾病或症状，例如眼部疾病、疼痛、多发性硬化和癫痫等。其中，I式中的变量R、R1、R2、R3、R4、R5、m和n的定义如本文所述。
• ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS
  申请人：AFFINIUM PHARMACEUTICALS, INC.

  公开号：US20130237523A1

  公开（公告）日：2013-09-12

  In part, the present invention is directed to antibacterial compounds.

  部分而言，本发明涉及抗菌化合物。
• Thermosetting resin composition
  申请人：MITSUI TOATSU CHEMICALS, Inc.

  公开号：EP0342943A1

  公开（公告）日：1989-11-23

  The present invention relates to thermosetting resin compositions comprising a bismaleimide compound represented by the formula (I) and an aromatic amine resin represented by the general formula (II) and to processes for preparing the same.

  本发明涉及热固性树脂组合物，该组合物包含由式（I）表示的双马来酰亚胺化合物和由通式（II）表示的芳香族胺树脂 和通式 (II) 所代表的芳香胺树脂组成的热固性树脂组合物。 及其制备工艺。

表征谱图