1-ethyl-2-isopropoxybenzene | 342403-39-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-ethyl-2-isopropoxybenzene
• 英文别名: 2-Ethylphenol, isopropyl ether；1-ethyl-2-propan-2-yloxybenzene
• CAS: 342403-39-8
• 化学式: C₁₁H₁₆O
• mdl: MFCD20390274
• 分子量: 164.247
• InChiKey: RYVOQHVPRLDWIL-UHFFFAOYSA-N

物化性质

• 沸点：
  214.9±9.0 °C(Predicted)
• 密度：
  0.914±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 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：

  1-ethyl-2-isopropoxybenzene 在 劳森试剂 、 吡啶 、 aluminum (III) chloride 、 氯化亚砜 、 二甲酰氨基钠 、 四丁基氟化铵 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 氯仿 、 甲苯 、 乙腈 为溶剂， 生成 methyl 1-((4-ethyl-5-(5-(3-ethyl-4-isopropoxyphenyl)thiazol-2-yl)thiophen-2-yl)methyl)azetidine-3-carboxylate
  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：

  2,3-苯并呋喃 生成 1-ethyl-2-isopropoxybenzene
  参考文献：
  名称：

  KARAXANOV EH. A.; SHARIPOVA S. X.; ROZHKOVA M. I.; VIKTOROVA E. A., XIMIYA GETEROTSIKL. SOEDIN., 1978, HO 1, 22-23

  摘要：

  DOI：

文献信息

• [EN] MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS<br/>[FR] COMPOSÉS DE MORPHOLINONE EN TANT QU'INHIBITEURS DE FACTEUR IXA
  申请人：MOCHIDA PHARM CO LTD

  公开号：WO2010065717A1

  公开（公告）日：2010-06-10

  The present invention provides a compound of Formula (I) as described herein, or a pharmaceutically acceptable salt or a solvate thereof. The present invention also provides pharmaceutical compositions comprising one or more said compounds, and methods for using said compounds for treating or preventing a thromboses, embolisms, hypercoagulability or fibrotic changes.

  本发明提供了如下描述的化合物I的化合物，或其药用可接受的盐或溶剂。本发明还提供包含一个或多个所述化合物的药物组合物，以及使用所述化合物治疗或预防血栓、栓塞、高凝血性或纤维变化的方法。
• AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS
  申请人：Kolczewski Sabine

  公开号：US20100210592A1

  公开（公告）日：2010-08-19

  The invention relates to the use of compounds of formula I wherein the substituents are described in the description and claims for the treatment of psychoses, dysfunction in memory and learning, schizophrenia, dementia, attention deficit disorders or Alzheimer's disease. The invention also relates to some compounds of formula I and pharmaceutical compositions containing them.

  本发明涉及使用式I中的化合物，其中取代基在描述和权利要求中描述，用于治疗精神病、记忆和学习功能障碍、精神分裂症、痴呆症、注意力缺陷障碍或阿尔茨海默病。本发明还涉及一些式I的化合物和含有它们的药物组合物。
• SUBSTITUTED SULPHONAMIDES FOR CONTROLLING ANIMAL PESTS
  申请人：BAYER CROPSCIENCE AKTIENGESELLSCHAFT

  公开号：US20200288710A1

  公开（公告）日：2020-09-17

  The present invention relates to the use of a compound of the general formula (I) in which M and D have the meanings given in the description for controlling animal pests.

  本发明涉及使用一种通式（I）中的化合物，其中M和D的含义如描述中所示，用于控制动物害虫。
• Pyrimidine compounds and their use
  申请人：——

  公开号：US20040077669A1

  公开（公告）日：2004-04-22

  Pyrimidine compounds of formula (1): 1 wherein R 1 is C 3 -C 7 alkynyl optionally substituted with halogen; R 2 and R 3 are independently hydrogen or the like; and R 4 is C 3 -C 7 alkynyloxy optionally substituted with halogen, optionally substituted phenyl, or the like have an excellent pesticidal effect.

  公式（1）的嘧啶化合物：1其中R1是C3-C7炔基，可选地取代卤素; R2和R3分别是氢或类似物; R4是C3-C7炔氧基，可选地取代卤素，可选地取代苯基或类似物，具有优异的杀虫效果。
• MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS
  申请人：Hadida Ruah Sara S.

  公开号：US20080306062A1

  公开（公告）日：2008-12-11

  Compounds of the present invention, and pharmaceutically acceptable compositions thereof, are useful as modulators of ATP-Binding Cassette (“ABC”) transporters or fragments thereof, including Cystic Fibrosis Transmembrane Conductance Regulator (“CFTR”). The present invention also relates to methods of treating ABC transporter mediated diseases using compounds of the present invention.

  本发明的化合物及其药学上可接受的组合物，可用作ATP结合盒（“ABC”）转运蛋白或其片段的调节剂，包括囊性纤维化跨膜传导调节因子（“CFTR”）。本发明还涉及使用本发明的化合物治疗ABC转运蛋白介导的疾病的方法。