5-n-butyl-2-hydroxy-acetophenone | 50743-14-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5-n-butyl-2-hydroxy-acetophenone
• 英文别名: 2'-Hydroxy-5'-butylacetophenon；1-(5-butyl-2-hydroxyphenyl)ethanone；3-n-butyl-6-hydroxyacetophenone
• CAS: 50743-14-1
• 化学式: C₁₂H₁₆O₂
• 分子量: 192.258
• InChiKey: NKORCMCSGJVRAI-UHFFFAOYSA-N

物化性质

• 沸点：
  305.0±30.0 °C(Predicted)
• 密度：
  1.037±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-n-butyl-2-hydroxy-acetophenone 在 吡啶 、 bis-triphenylphosphine-palladium(II) chloride 、 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 potassium acetate 、 potassium carbonate 作用下， 以 乙醇 、 二氯甲烷 、 水 、 二甲基亚砜 、 甲苯 为溶剂， 反应 16.0h， 生成 1-[2-(5-Bromothieno[3,2-b]thiophen-2-yl)-5-butylphenyl]ethanone
  参考文献：
  名称：

  化合物、液晶組成物及び高周波移相器

  摘要：

  The problem that the present invention aims to solve is to provide a compound with a large refractive index anisotropy Δn, high compatibility with liquid crystal compositions, and exhibiting a large dielectric anisotropy in the high-frequency domain, as well as to provide a liquid crystal composition containing the compound and a device using the liquid crystal composition. The present invention provides a compound represented by the following general formula (I) [Chemical 1], a liquid crystal composition containing the compound, and a device using the liquid crystal composition. The compound of the present invention has a large refractive index anisotropy Δn, high compatibility with liquid crystal compositions, and exhibits a large dielectric anisotropy in the high-frequency domain, making it useful as a material for devices such as high-frequency phase shifters, phased array antennas, image recognition devices, ranging devices, liquid crystal display devices, liquid crystal lenses, or biaxial lenses for stereoscopic image display. [Selected drawing]: None

  公开号：

  JP2021091640A
• 作为产物：
  描述：

  acetic acid-(4-butyl-phenyl ester) 在 scandium tris(trifluoromethanesulfonate) 作用下， 以 甲苯 为溶剂， 生成 5-n-butyl-2-hydroxy-acetophenone
  参考文献：
  名称：

  [2-（4-喹啉基氧基）苯基]甲酮衍生物的合成和评价：新型的转化生长因子-β激酶的选择性抑制剂。

  摘要：

  我们合成并评估了各种[2-（4-喹啉基氧基）苯基]甲酮衍生物。这些化合物具有不同于先前报道的抑制剂的新颖化学结构。生物学数据表明，这些化合物通过与I型转化生长因子受体激酶结构域的ATP结合口袋相互作用而抑制了TGF-β信号转导。在这里，我们报告了该系列化合物的合成与构效关系。

  DOI：

  10.1021/jm701626z

文献信息

• 2-carbamide-4-phenylthiazole derivatives, preparation thereof and therapeutic use thereof
  申请人：Casellas Pierre

  公开号：US20070179126A1

  公开（公告）日：2007-08-02

  The disclosure concerns 2-carbamide-4-phenylthiazole derivatives of general formula (I). The disclosure also concerns pharmaceutical compositions containing a compound of general formula (I) and to processes for preparing and methods of using compounds of general formula (I).

  该披露涉及通式（I）的2-氨基甲酰胺-4-苯基噻唑衍生物。该披露还涉及含有通式（I）化合物的药物组合物，以及制备通式（I）化合物的方法和使用方法。
• 2-Acylamino-4-phenylthiazole derivatives, preparation thereof and therapeutic application thereof
  申请人：Carayon Pierre

  公开号：US20060135575A1

  公开（公告）日：2006-06-22

  The invention relates to 2-acylamino-4-phenylthiazole derivatives of general formula (I): pharmaceutically acceptable acid-addition salts thereof, hydrates or solvates of such derivatives or such pharmaceutically acceptable acid addition salts, intermediates thereto, processes for the preparation thereof, and therapeutic application thereof.

  该发明涉及一般式（I）的2-酰氨基-4-苯基噻唑衍生物：其药学上可接受的酸加盐、这些衍生物的水合物或溶剂合物，或这些药学上可接受的酸加盐，以及这些衍生物的中间体，其制备方法和治疗应用。
• Regioselective Synthesis of 5-Alkylsalicylates, 5-Alkyl-2-hydroxy-acetophenones, and 5-Alkyl-2-hydroxy-benzophenones by [3 + 3] Cyclization of 1,3-Bis(silyl enol ethers) with 2-Alkyl-1,1,3,3-tetraethoxypropanes
  作者：Constantin Mamat、Stefan Büttner、Tiana Trabhardt、Christine Fischer、Peter Langer

  DOI：10.1021/jo070847e

  日期：2007.8.1

  A variety of 5-alkylsalicylates, 5-alkyl-2-hydroxy-acetophenones, and 5-alkyl-2-hydroxy-benzophenones was regioselectively prepared by TiCl4 mediated formal [3 + 3] cyclization of 1,3-bis(silyl enol ethers) with 2-alkyl-1,1,3,3-tetraethoxypropanes.

  通过TiCl 4介导的1,3-双（甲硅烷基烯醇）的正式[3 + 3]环化反应，选择性地制备了各种5-烷基水杨酸酯，5-烷基-2-羟基苯乙酮和5-烷基-2-羟基苯甲酮醚）与2-烷基-1,1,3,3-四乙氧基丙烷。
• 2-Amido-4-phenylthiazole Derivatives, The Preparation And The Therapeutic Use Thereof
  申请人：CASELLAS Pierre

  公开号：US20070259847A1

  公开（公告）日：2007-11-08

  The disclosure relates to 2-amido-4-phenylthiazole derivatives of general formula (I) below: in which R 1 , R 2 , R 3 , Y, m, n, and p are as defined in the disclosure; as well as to their isomers, salts and solvates, to the pharmaceutical compositions containing them and to the therapeutic use thereof.

  该公开涉及通式（I）如下的2-酰胺-4-苯基噻唑衍生物：其中R1、R2、R3、Y、m、n和p如公开所定义；以及它们的异构体、盐和溶剂合物，包含它们的药物组合物以及其治疗用途。
• Compound having tgfß inhibitory activity and medicinal composition containing the same
  申请人：Shimizu Kiyoshi

  公开号：US20060111375A1

  公开（公告）日：2006-05-25

  The present invention provides compounds represented by formula (I) and pharmaceutically acceptable salts and solvates thereof: wherein X represents CH or N; Z represents —O—, —NH— or —C(═O)—; R and R′ represent a hydrogen atom, hydroxyl, a halogen atom, optionally substituted alkyl, optionally substituted alkenyl optionally substituted alkoxy, amino, aminocarbonyl, or an optionally substituted heterocyclic group; and A represents an optionally substituted specific carbocyclic or heterocyclic group. The compounds according to the present invention have excellent TGFβ inhibitory activity.

  本发明提供了以下公式（I）所表示的化合物及其药学上可接受的盐和溶剂： 其中，X代表CH或N；Z代表-O-，-NH-或-C（=O）-；R和R'代表氢原子，羟基，卤原子，可选择取代的烷基，可选择取代的烯基，可选择取代的烷氧基，氨基，氨基甲酰基或可选择取代的杂环基；A代表可选择取代的特定环烷基或杂环基。本发明的化合物具有出色的TGFβ抑制活性。