2-(2-ethylphenoxy)ethanol | 34135-72-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-(2-ethylphenoxy)ethanol
• 英文别名: 2-(2-ethyl-phenoxy)-ethanol；2-(2-Aethyl-phenoxy)-aethanol；2-<2-Aethyl-phenoxy>-aethan-1-ol
• CAS: 34135-72-3
• 化学式: C₁₀H₁₄O₂
• 分子量: 166.22
• InChiKey: PFIMUSALHVWGLC-UHFFFAOYSA-N

物化性质

• 沸点：
  116-120 °C(Press: 4 Torr)
• 密度：
  1.037±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(2-ethylphenoxy)ethanol 在 吡啶 、 盐酸 、 sodium hydride 、 一水合肼 作用下， 以 乙二醇甲醚 、 N,N-二甲基甲酰胺 为溶剂， 反应 6.0h， 生成 2-(2-乙基苯氧基)乙胺
  参考文献：
  名称：

  QSAR study for a novel series of ortho monosubstituted phenoxy analogues of α1-adrenoceptor antagonist WB4101

  摘要：

  A number of (S)- and (R)-2-[(2-phenoxyethyl)aminomethyl]-1,4-benzodioxanes unsubstituted or ortho monosubstituted at the phenoxy moiety were synthesized and tested in binding assays on the alpha(1a)-AR, alpha(1b)-AR alpha(1d)-AR and the 5-HT1A receptor. The affinity values of the new compounds 1-16 were compared with those of the enantiomers of the 2,6-dimethoxyphenoxy analogue, the well-known alpha(1) antagonist WB4101, finding that the unsubstituted derivative (S)-1 and the o-methyl, the o-t-butyl, the o-fluoro and the o-methoxy derivatives, (S)-2, (S)-4, (S)-8 and (S)-16, respectively, display a significantly specific 5-HT1A affinity, very close, with the exception of (S)-4, to the almost nanomolar one of (S)-WB4101. Otherwise sensible affinity decreases were recorded for the three alpha(1)-AR subtypes. A classical quantitative structure-activity relationship (Hansch) analysis was successfully applied to compounds (S)-1 to (S)-16 and (S)-WB4101 to rationalize such binding data. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.01.034
• 作为产物：
  描述：

  碳酸乙烯酯 、 乙基苯酚 在 potassium carbonate 作用下， 以 甲苯 为溶剂， 反应 2.0h， 以77%的产率得到2-(2-ethylphenoxy)ethanol
  参考文献：
  名称：

  QSAR study for a novel series of ortho monosubstituted phenoxy analogues of α1-adrenoceptor antagonist WB4101

  摘要：

  A number of (S)- and (R)-2-[(2-phenoxyethyl)aminomethyl]-1,4-benzodioxanes unsubstituted or ortho monosubstituted at the phenoxy moiety were synthesized and tested in binding assays on the alpha(1a)-AR, alpha(1b)-AR alpha(1d)-AR and the 5-HT1A receptor. The affinity values of the new compounds 1-16 were compared with those of the enantiomers of the 2,6-dimethoxyphenoxy analogue, the well-known alpha(1) antagonist WB4101, finding that the unsubstituted derivative (S)-1 and the o-methyl, the o-t-butyl, the o-fluoro and the o-methoxy derivatives, (S)-2, (S)-4, (S)-8 and (S)-16, respectively, display a significantly specific 5-HT1A affinity, very close, with the exception of (S)-4, to the almost nanomolar one of (S)-WB4101. Otherwise sensible affinity decreases were recorded for the three alpha(1)-AR subtypes. A classical quantitative structure-activity relationship (Hansch) analysis was successfully applied to compounds (S)-1 to (S)-16 and (S)-WB4101 to rationalize such binding data. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.01.034

文献信息

• TRIAZOLE ACC INHIBITORS AND USES THEREOF
  申请人：Gilead Apollo, LLC

  公开号：US20170166584A1

  公开（公告）日：2017-06-15

  The present invention provides triazole compounds useful as inhibitors of Acetyl CoA Carboxylase (ACC), compositions thereof, and methods of using the same.

  本发明提供了三唑化合物，可用作乙酰辅酶A羧化酶（ACC）的抑制剂，以及其组合物和使用方法。
• Substituted Piperidines that Increase P53 Activity and the Uses Thereof
  申请人：Ma Yao

  公开号：US20080004287A1

  公开（公告）日：2008-01-03

  In its many embodiments, the present invention discloses novel compounds, as inhibitors of HDM2 protein, methods for preparing such compounds, pharmaceutical compositions including one or more such compounds, methods of treatment, prevention, inhibition, of one or more diseases associated with the HDM2 protein or P53 using such compounds or pharmaceutical compositions.

  在其多种实施形式中，本发明披露了作为HDM2蛋白抑制剂的新型化合物，制备这种化合物的方法，包括一种或多种这种化合物的药物组合物，以及利用这种化合物或药物组合物进行与HDM2蛋白或P53相关的一种或多种疾病的治疗、预防、抑制方法。
• Non-aqueous ink for ball point pen, and ball point pen
  申请人：MITSUBISHI PENCIL KABUSHIKI KAISHA

  公开号：EP0702066A2

  公开（公告）日：1996-03-20

  A non-aqueous ink for a ball point pen is disclosed herein which is accompanied by the feature of the non-aqueous ink excellent in the so-called cap-off performance that a writing performance does not deteriorate even when the pen is allowed to stand, with a cap being removed, and the feature of an aqueous ink that a low writing pressure can be used and blobbing does not occur. This ink comprises an organic solvent having a vapor pressure of 0.2 mmHg (20°C) or less, a colorant and a coagulant and has a non-Newtonian viscosity index of 0.2 to 0.5 and a viscosity of 200 mPa·s (25°C, 50 rpm) or less. Furthermore, the ink is characterized by containing a autolyophobic vehicle in which a contact angle to the surface of a material such as stainless steel or bronze having a high surface free energy is in the range of 5 to 40°.

  本文公开了一种用于圆珠笔的非水性墨水，这种非水性墨水具有所谓的脱帽性能优异的特点，即在笔帽脱落的情况下，即使让笔静置，书写性能也不会变差，同时还具有水性墨水的特点，即可以使用较低的书写压力，也不会出现起泡现象。这种墨水由蒸汽压为 0.2 mmHg（20°C）或更低的有机溶剂、着色剂和凝固剂组成，非牛顿粘度指数为 0.2 至 0.5，粘度为 200 mPa-s（25°C，50 rpm）或更低。此外，该油墨的特点是含有一种自疏性载体，它与具有高表面自由能的材料（如不锈钢或青铜）表面的接触角在 5 至 40°之间。
• LIQUID CRYSTAL ALIGNING AGENT
  申请人：JSR Corporation

  公开号：EP0840161A1

  公开（公告）日：1998-05-06

  A liquid crystal alignment agent containing at least two kinds of polymers selected from the group consisting of polyamic acids and imidized polymers and having a structure obtained by dehydration and ring closure of polyamic acid. In the at least two kinds of polymers contained in the liquid crystal alignment agent, the polymer of higher imidization degree has a smaller surface free energy. The liquid crystal alignment agent gives a liquid crystal display device having less stuck image and high pretilt angle.

  一种液晶配向剂，含有至少两种聚合物，这两种聚合物选自聚酰胺酸和亚胺 化聚合物，其结构由聚酰胺酸脱水和闭环获得。在液晶配向剂所含的至少两种聚合物中，酰亚胺化程度较高的聚合物的表面自由能较小。这种液晶配向剂使液晶显示装置具有较少的卡影现象和较高的前倾角。
• Liquid crystal alignment layer, production method for the same, and liquid crystal display device comprising the same
  申请人：JSR Corporation

  公开号：EP0875781A2

  公开（公告）日：1998-11-04

  A method of producing a liquid crystal alignment layer comprising exposing an organic film to polarized pulse laser beam to align molecules in a surface portion of the organic film. There is provided a liquid crystal alignment layer composed of a polyamide film having aligned molecules in a surface portion.

  一种生产液晶排列层的方法，包括将有机薄膜暴露于偏振脉冲激光束中，使有机薄膜表面部分的分子排列整齐。提供了一种由聚酰胺薄膜组成的液晶排列层，其表面部分具有排列好的分子。