1-(2-hydroxyethyl)-2-ethylbenzene | 22545-12-6

• 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: 1-(2-hydroxyethyl)-2-ethylbenzene
• 英文别名: 2-(2-Ethylphenyl)ethanol
• CAS: 22545-12-6
• 化学式: C₁₀H₁₄O
• 分子量: 150.221
• InChiKey: IQHHLQVUUXLKFL-UHFFFAOYSA-N

物化性质

• 沸点：
  249.7°C (estimate)
• 密度：
  0.9972

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-(2-hydroxyethyl)-2-ethylbenzene 在 三溴化磷 作用下， 生成 2-ethyl-phenethyl bromide
  参考文献：
  名称：

  与长春新酸甲酯的研究有关的烷基菲的合成

  摘要：

  DOI：

  10.1039/jr9540001373
• 作为产物：
  描述：

  1-methylisochromane 在 palladium on activated charcoal 氢气 、 柠檬酸 作用下， 以 异丙醇 为溶剂， 100.0~110.0 ℃ 、5.07 MPa 条件下， 反应 3.0h， 以87%的产率得到1-(2-hydroxyethyl)-2-ethylbenzene
  参考文献：
  名称：

  Vasil'ev, A.A.; Donskaya,N.A.; Cherkaev, G.V., Journal of Organic Chemistry USSR (English Translation), 1991, vol. 27, # 2, p. 273 - 278

  摘要：

  DOI：

文献信息

• ACC INHIBITORS AND USES THEREOF
  申请人：Nimbus Apollo, Inc.

  公开号：US20130123231A1

  公开（公告）日：2013-05-16

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

  本发明提供了作为乙酰辅酶A羧化酶（ACC）抑制剂的化合物，以及其组合物和使用方法。
• Antiproliferative activity and SARs of caffeic acid esters with mono-substituted phenylethanols moiety
  作者：Jin Xie、Fengzhi Yang、Man Zhang、Celine Lam、Yixue Qiao、Jia Xiao、Dongdong Zhang、Yuxuan Ge、Lei Fu、Dongsheng Xie

  DOI：10.1016/j.bmcl.2016.12.007

  日期：2017.1

  A series of CAPE derivatives with mono-substituted phenylethanols moiety were synthesized and evaluated by MTT assay on growth of 4 human cancer cell lines (Hela, DU-145, MCF-7 and ECA-109). The substituent effects on the antiproliferative activity were systematically investigated for the first time. It was found that electron-donating and hydrophobic substituents at 2′-position of phenylethanol moiety

  合成了一系列具有单取代苯基乙醇部分的CAPE衍生物，并通过MTT分析对4种人类癌细胞系（Hela，DU-145，MCF-7和ECA-109）的生长进行了评估。首次系统地研究了取代基对抗增殖活性的影响。发现苯乙醇部分的2'-位的给电子和疏水取代基可以显着增强CAPE的抗增殖活性。作为一种新型咖啡酸酯的2'-丙氧基衍生物表现出出色的效力（ 分别针对Hela和DU-145的IC 50 = 0.4±0.02和0.6±0.03μM）。
• [EN] THERAPEUTIC COMPOUNDS<br/>[FR] COMPOSÉS THÉRAPEUTIQUES
  申请人：ALLERGAN INC

  公开号：WO2009137412A1

  公开（公告）日：2009-11-12

  Compounds comprising formula (I) or a pharmaceutically acceptable salt thereof, a dashed line represent the presence or absence of a double bond, are disclosed, wherein J1, J2, U1, B, Y, and A are as described in claims 1-12. Methods, compositions, and medicaments related thereto are also disclosed, for treating glaucoma, inflammatory bowel disease and baldness.

  公开了包含式（I）或其药用可接受的盐的化合物，其中虚线表示双键的存在或缺失，其中J1、J2、U1、B、Y和A如权利要求1-12中所述。还公开了与之相关的治疗青光眼、炎症性肠病和脱发的方法、组合物和药物。
• [EN] 3'-KETOGLYCOSIDE COMPOUND FOR THE SLOW RELEASE OF A VOLATILE ALCOHOL<br/>[FR] COMPOSÉ 3'-CÉTOGLYCOSIDE POUR LA LIBÉRATION LENTE D'UN ALCOOL VOLATIL
  申请人：GLYCOSCIENCE S L

  公开号：WO2021160670A1

  公开（公告）日：2021-08-19

  The present invention relates to a 3'-ketoglycoside compound defined by formula (I) and its use for controlled release of alcohols, in particular alcohols showing an insect repellent effect. It relates also to a process for preparing the 3'-ketoglycoside compound of formula (I). It further relates to a composition comprising a 3'- ketoglycoside compound of formula (I). It relates also to the use of a 3'-ketoglycoside compound of formula (I) for the controlled release of alcohols. It related also to a method of use of such composition.

  本发明涉及由式(I)定义的3'-酮基糖苷化合物及其用于控制释放醇，特别是显示驱虫效果的醇。它还涉及制备式(I)的3'-酮基糖苷化合物的方法。此外，它还涉及包含式(I)的3'-酮基糖苷化合物的组合物。它还涉及使用式(I)的3'-酮基糖苷化合物来控制释放醇。它还涉及使用这种组合物的方法。
• DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS
  申请人：Matsuyama Hironori

  公开号：US20100004438A1

  公开（公告）日：2010-01-07

  An object of the present invention is to provide a medicinal drug much improved in anti tumor activity and excellent in safety. According to the present invention, there is provided a medicinal drug containing a compound represented by the following general formula (1) or a salt thereof as an active ingredient: [Formula 1] wherein X 1 represents a nitrogen atom or a group —CH═, R 1 represents a group -Z-R 6 , in which Z represents a group —CO—, a group —CH(OH)— or the like, R 6 represents a 5- to 15-membered monocyclic, dicyclic or tricyclic saturated or unsaturated heterocyclic group having 1 to 4 nitrogen atoms, oxygen atoms or sulfur atoms, R 2 represents a hydrogen atom or a halogen atom, Y represents a group —O—, a group —CO—, a group —CH(OH)— or a lower alkylene group, and A represents [Formula 2] wherein R 3 represents a hydrogen atom, a lower alkoxy group or the like, p represents 1 or 2, R 4 represents an imidazolyl lower alkyl group or the like.

  本发明的一个目的是提供一种在抗肿瘤活性方面大大改进且安全性优异的药物。根据本发明，提供了一种包含以下一般式（1）所表示的化合物或其盐作为活性成分的药物：[式1]其中X1代表氮原子或基团—CH═，R1代表一个基团-Z-R6，其中Z代表基团—CO—，基团—CH(OH)—或类似的基团，R6代表一个含有1至4个氮原子、氧原子或硫原子的5至15个成员的单环、双环或三环饱和或不饱和杂环基团，R2代表氢原子或卤原子，Y代表基团—O—，基团—CO—，基团—CH(OH)—或低碳烷基基团，A代表[式2]其中R3代表氢原子、低碳氧基基团或类似基团，p代表1或2，R4代表咪唑基低碳基团或类似基团。