4-(4-(hydroxymethyl)phenyl)butan-2-one | 646039-17-0

• 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: 4-(4-(hydroxymethyl)phenyl)butan-2-one
• 英文别名: 4-[4-(Hydroxymethyl)phenyl]butan-2-one
• CAS: 646039-17-0
• 化学式: C₁₁H₁₄O₂
• 分子量: 178.231
• InChiKey: FGSJOBYZMITGLF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  在 四丁基氟化铵 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 0.5h， 以0.171 g的产率得到4-(4-(hydroxymethyl)phenyl)butan-2-one
  参考文献：
  名称：

  在涉及醛选择性速率增强的酮的存在下，Me2S 诱导的醛的高度选择性还原：三钌簇催化的氢化硅烷化

  摘要：

  添加适量的 Me2S 异常加速了由 [Ru3(CO)7(Acy)] (1, Acy: µ3-η2,η3,η5-acenaphthylene) 催化的醛的氢化硅烷化。酮体的还原完全...

  DOI：

  10.1246/cl.140731

文献信息

• Synthesis of Quinolines and 2<i>H</i>-Dihydropyrroles by Nucleophilic Substitution at the Nitrogen Atom of Oxime Derivatives
  作者：Koichi Narasaka、Mitsuru Kitamura、Masayuki Yoshida、Takashi Kikuchi

  DOI：10.1055/s-2003-42439

  日期：——

  Isomerization of oxime derivatives was researched in detail to find out the methods for the syn-anti isomerization of O-substituted oximes. Based on these findings were developed simple methods for the preparation of aza-heterocycles from both stereo­isomers of oximes. Quinolines were synthesized from β-aryl ketone oximes by treatment with trifluoroacetic anhydride and 4-chloranil. γ,δ-Unsaturated O-methoxyacetyloximes were transformed to 2H-dihydropyrroles by reaction with methoxy-acetic acid.

  详细研究了肟衍生物的异构化，以探索O-取代肟的顺反异构化方法。基于这些发现，开发了从肟的立体异构体中简单制备氮杂环的方法。通过用三氟乙酸酐和四氯苯醌处理β-芳基酮肟，合成了喹啉。γ,δ-不饱和O-甲氧基乙酰肟在甲氧基乙酸的作用下转化为2H-二氢吡咯。
• BENZO-OR PYRIDO-IMIDAZOLE DERIVATIVE
  申请人：Fujita Takashi

  公开号：US20130165446A1

  公开（公告）日：2013-06-27

  The present invention addresses the problem of finding a compound having both PPAR activation activity and angiotensin receptor antagonistic activity. The present invention is a benzo- or pyrido-imidazole derivative represented by general formula (I), a pharmaceutically acceptable salt thereof, or a ester or amide thereof (where A is biphenyl methyl-imidazolyl, biphenyl methyl-benzimidazolyl, or the like, B is divalent benzimidazolyl or the like, C is carboxyl or the like, E is divalent phenyl, naphthyl, or the like, G is a dangling bond, oxygen, or the like, Q is oxygen or sulfur, n is an integer from 1 to 6, p is an integer from 1 to 6, V is a dangling bond, oxygen, or the like, and R is hydrogen, alkyl, or the like).

  本发明解决了寻找既具有PPAR激活活性又具有血管紧张素受体拮抗活性的化合物的问题。本发明是一种由通式（I）表示的苯并或吡啶-咪唑衍生物，其药学上可接受的盐，或其酯或酰胺（其中A是联苯甲基咪唑基，联苯甲基苯并咪唑基或类似物，B是二价苯并咪唑基或类似物，C是羧基或类似物，E是二价苯基，萘基或类似物，G是悬键，氧或类似物，Q是氧或硫，n是从1到6的整数，p是从1到6的整数，V是悬键，氧或类似物，R是氢，烷基或类似物）。
• HDAC INHIBITORS
  申请人：GlaxoSmithKline Intellectual Property Development Limited

  公开号：US20140323531A1

  公开（公告）日：2014-10-30

  Compounds of formula (I) inhibit HDAC activity: wherein A, B and D independently represent ═C— or ═N—; W is a divalent radical —CH═CH— or CH 2 CH 2 —; R 1 is a carboxylic acid group (—COOH), or an ester group which is hydrolysable by one or more intracellular carboxyesterase enzymes to a carboxylic acid group; R 2 is the side chain of a natural or non-natural alpha amino acid; z is 0 or 1; and Y, L 1 , and X 1 are as defined in the claims.

  公式（I）的化合物抑制HDAC活性： 其中，A，B和D分别表示═C—或═N—；W是二价基团—CH═CH—或CH2CH2—；R1是羧酸基（—COOH）或可被一个或多个细胞内羧酸酯酶水解成羧酸基的酯基；R2是天然或非天然α-氨基酸的侧链；z为0或1；Y，L1和X1如权利要求所定义。
• US9273003B2
  申请人：——

  公开号：US9273003B2

  公开（公告）日：2016-03-01
• [EN] A PROCESS FOR THE PREPARATION OF 4-[2-[[3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]AMINO]ETHYL]-1,2-BENZENEDIOL<br/>[FR] PROCÉDÉ DE PRÉPARATION DE 4-[2-[[3-(4-HYDROXYPHÉNYL)-1-MÉTHYLPROPYL]AMINO]ÉTHYL]-1,2-BENZÈNEDIOL
  申请人：SUN PHARMACEUTICAL IND LTD

  公开号：WO2008047382A2

  公开（公告）日：2008-04-24

  [EN] The present invention relates to a process for the preparation of 4-[2-[[3-(4-hydroxyphenyl)-1- rnethylpropyl]amino]ethyl]-1,2-benzenediol, a compound of formula (I), and its pharmaceutically acceptable salts. The compound of formula (I), commonly known as dobutamine, is used in therapy as a cardiotonic for treating cardiac insufficiency. The process for preparation of a compound of formula (I) or its pharmaceutically acceptable salts comprises subjecting 3,4-bis(arylmethyloxy)-N-[3-(4-arylmethyloxy)-1 -methylpropyl]-ß- phenethyl amine, a compound of formula (V), wherein R is independently selected from hydrogen, (C₁-C₆)alkyl, O-(C₁-C₆)-alkyl, aryl, O-aryl, aralkyl, halogen and hydroxyl, to catalytic hydrogenolysis.
  [FR] L'invention concerne un procédé de préparation de 4-[2-[[3-(4-hydroxyphényl)-1- rnéthylpropyl]amino]éthyl]-1,2-benzènediol, un composé de la formule (I), et de ses sels pharmaceutiquement acceptables. Le composé de la formule (I), généralement connu sous le nom de dobutamine, est utilisé en thérapie comme cardiotonique pour le traitement de l'insuffisance cardiaque. Le procédé de préparation d'un composé de la formule (I) ou de ses sels pharmaceutiquement acceptables consiste à soumettre une 3,4-bis(arylméthyloxy)-N-[3-(4-arylméthyloxy)-1 -méthylpropyl]-ß- phenéthyl amine, un composé de la formule (V), dans laquelle R est indépendamment choisi entre hydrogène, (C₁-C₆)alkyle, O-(C₁-C₆)-alkyle, aryle, O-aryle, aralkyle, halogène et hydroxyle, à une hydrogénolyse catalytique.