5-Propionyl-hemimellitol | 107075-94-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5-Propionyl-hemimellitol
• 英文别名: 1-(3,4,5-Trimethylphenyl)propan-1-one
• CAS: 107075-94-5
• 化学式: C₁₂H₁₆O
• 分子量: 176.258
• InChiKey: IUIXQPKFSMIWKQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  5-Propionyl-hemimellitol 在 palladium on activated charcoal 高氯酸 、 氢气 、 溶剂黄146 作用下， 生成 5-Propyl-hemimellitol
  参考文献：
  名称：

  Alkylbenzenes. XV. Friedel-Crafts Allkylations of p-Xylene and Mesitylene with Propyl Halides. Concurrent Rearrangements and Reorientations

  摘要：

  DOI：

  10.1021/ja01068a018

文献信息

• New derivatives of an aminoketone
  申请人：NIPPON KAYAKU KABUSHIKI KAISHA

  公开号：EP0200942A2

  公开（公告）日：1986-11-12

  A new aminoketone derivative having a central muscle relaxant activity which is represented by the following general formula: wherein R1 and are the groups defined as I, II or III below, one of R2 and R3 is a hydrogen atom and the other is a lower alkyl group; n is 0 when R1 is I or II, and it is 0 or 1 when R1 is III: I: R1 is a group selected from the groups ① to ⑦ mentioned below and ① a group of the formula ② a group of the formula (wherein R5 is a fluorine atom, a bromine atom, a lower alkoxyl group, a lower alkyl group, hydroxyl group, CH2=CH-, a phenyl group or ③ a group of the formula (wherein R6 is a halogen atom, a lower alkyl group, (wherein R4 is a trihalogenomethyl group), CH2=CH- or phenyl group), (Continuation next page) ④ a group of the formula (wherein both R7 and R8 each are halogen atoms, lower alkyl groups, lower alkoxyl groups or hydrogen atoms), ⑤ a group of the formula (wherein R9 and R10 each are halogen atoms, lower alkyl groups or lower alkoxyl group, and R10 is a substituent at the position 4 or 5 of the phenyl ring), ⑥ a group of the formula (wherein R9 is a lower alkoxyl group, a lower alkyl group or a halogen atom; R" is a substituent at the position 2 or 3 of the phenyl ring, and is a lower alkyl group, a lower alkoxyl group or a hydroxyl group; and R12 is a substituent at the position 5 or 6 of the phenyl ring, and is a lower alkyl group or a halogen atom), and ⑦ a group of the formula (wherein R9 is a lower alkoxyl group, a lower alkyl group or a halogen atom; R13 is a lower alkyl group, a lower alkoxyl group or a hydroxyl group; and R14 is a lower alkyl group or a lower alkoxyl group, provided that R14 is a lower alkoxyl group when R9 is a lower alkoxyl group at the position 4 of the phenyl ring): II: R' is a group selected from the groups ① or ② mentioned below and ① a group of the formula (wherein R15 and R16 each are lower alkyl groups or lower alkoxyl groups; and R" is a hydrogen atom or a lower alkoxyl group, provided that one of R15 and R16 is a lower alkoxyl group when R17 is a lower alkoxyl group), ② a group of the formula (wherein R'6 and R16 each are lower alkyl groups or lower alkoxyl groups and R18 is a lower alkyl group, provided that R'6 is a substituent at the position 3 or 4): III: R1 is a group selected from the groups ①,②,③ or ④ mentioned below and is a group of the formula ① a group of the formula (wherein R20 is a hydrogen atom, a halogen atom, a lower alkyl group or a lower alkoxyl group), a group of the formula (wherein R21 is a halogen atom, a lower alkyl group or a lower alkoxyl group), ③ a group of the formula (wherein R22 is a lower alkoxyl group), and ④ a group of the formula (wherein R23 is a halogen atom or a lower alkyl group, R24 and R25 each are lower alkyl groups, and R26 is a lower alkyl group or a lower alkoxyl group), its pharmaceuticatly acceptable salt and a process for manufacturing thereof.

  一种具有中枢性肌肉松弛活性的新型氨基酮衍生物，其通式如下： 其中 R1 和 是下面定义为Ⅰ、Ⅱ或Ⅲ的基团，R2和R3中的一个是氢原子，另一个是低级烷基；当R1是Ⅰ或Ⅱ时，n为0，当R1是Ⅲ时，n为0或1：Ⅰ：R1 是选自下述基团①至⑦的基团，且 式中的一个基团 式中的一个基团 (其中 R5 是氟原子、溴原子、低级烷氧基、低级烷基、羟基、CH2=CH-、苯基或 式中的一个基团 (其中 R6 为卤素原子、低级烷基、 (其中 R4 为三卤代甲基）、 =CH- 或苯基），（下页接上文） 式中的一个基团 (其中 R7 和 R8 各为卤素原子、低级烷基、低级烷氧基或氢原子）、 式中的一个基团 (其中 R9 和 R10 各为卤素原子、低级烷基或低级烷氧基，且 R10 是位于苯环第 4 或第 5 位的取代基）、 式中的一个基团 (其中 R9 是低级烷氧基、低级烷基或卤素原子；R "是位于苯环第 2 或第 3 位的取代基，并且是低级烷基、低级烷氧基或羟基；R12 是位于苯环第 5 或第 6 位的取代基，并且是低级烷基或卤素原子），以及 ⑦ 式中的基团 式中的一个基团 (其中 R9 是低级烷氧基、低级烷基或卤原子；R13 是低级烷基、低级烷氧基或羟基；R14 是低级烷基或低级烷氧基，条件是当 R9 是位于苯环第 4 位的低级烷氧基时，R14 是低级烷氧基）： II：R'是选自下述基团①或②的基团，且 式中的一个基团 (其中 R15 和 R16 各为低级烷基或低级烷氧基；R "为氢原子或低级烷氧基，条件是当 R17 为低级烷氧基时，R15 和 R16 中的一个为低级烷氧基）、 式中的一个基团 (其中 R'6 和 R16 均为低级烷基或低级烷氧基，R18 为低级烷基，条件是 R'6 是位于 3 或 4 位的取代基）： III：R1 是选自下述基团①、②、③或④的基团，且 是式 式中的一个基团 (其中 R20 是氢原子、卤素原子、低级烷基或低级烷氧基、 低级烷基或低级烷氧基）、 式中的一个基团 (其中 R21 为卤素原子、低级烷基或低级烷氧基）、 式中的一个基团 (其中 R22 为低级烷氧基），以及 式中的一个基团 (其中 R23 为卤原子或低级烷基，R24 和 R25 分别为低级烷基，R26 为低级烷基或低级烷氧基）的基团、其药学上可接受的盐及其制造方法。
• Flavonoid derivative compounds and method for preparing same by depolymerization of condensed tannins
  申请人：INSTITUT NATIONAL DE LA RECHERCHE AGRONOMIQUE

  公开号：US10030009B2

  公开（公告）日：2018-07-24

  A compound of general formula (I) in which R1, R2, R3 and R5, identical or different, each represent a hydrogen atom or a hydroxyl group, optionally protected by a protecting group. R4 represents a hydrogen atom or an —OR7 group, in which R7 represents a hydrogen atom, a protecting group or a gallate group. R6 represents a hydroxyl group, optionally protected by a protecting group. R′1, R′2, R′3 and R′4, identical or different, each represent a hydrogen atom or a substituent not comprising a mesomeric electron withdrawing group conjugated with the furan ring. A substituent from R′1, R′2, R′3 and R′4 representing the covalent bond with the pyran ring or one of the salts of same. A method for obtaining such a compound includes a step of depolymerization of condensed tannins in the presence of an acid by means of a nucleophile derived from furan.

  通式(I)的化合物，其中 R1、R2、R3 和 R5 相同或不同，各自代表氢原子或羟基，可选择受保护基保护。R4 代表氢原子或-OR7 基团，其中 R7 代表氢原子、保护基团或没食子酸基团。R6 代表羟基，可选择受保护基团的保护。R′1、R′2、R′3 和 R′4，相同或不同，各自代表一个氢原子或一个不包括与呋喃环共轭的间取电子基团的取代基。R′1、R′2、R′3和R′4中的取代基代表与吡喃环或其盐之一的共价键。获得这种化合物的方法包括在有酸存在的情况下，通过来自呋喃的亲核剂使缩合单宁解聚的步骤。
• FLAVONOID DERIVATIVE COMPOUNDS AND METHOD FOR PREPARING SAME BY DEPOLYMERIZATION OF CONDENSED TANNINS
  申请人：INSTITUT NATIONAL DE LA RECHERCHE AGRONOMIQUE

  公开号：US20170260170A1

  公开（公告）日：2017-09-14

  A compound of general formula (I) in which R 1 , R 2 , R 3 and R 5 , identical or different, each represent a hydrogen atom or a hydroxyl group, optionally protected by a protecting group. R 4 represents a hydrogen atom or an —OR 7 group, in which R 7 represents a hydrogen atom, a protecting group or a gallate group. R 6 represents a hydroxyl group, optionally protected by a protecting group. R′ 1 , R′ 2 , R′ 3 and R′ 4 , identical or different, each represent a hydrogen atom or a substituent not comprising a mesomeric electron withdrawing group conjugated with the furan ring. A substituent from R′ 1 , R′ 2 , R′ 3 and R′ 4 representing the covalent bond with the pyran ring or one of the salts of same. A method for obtaining such a compound includes a step of depolymerization of condensed tannins in the presence of an acid by means of a nucleophile derived from furan.
• POLYMERIC BIOMATERIALS DERIVED FROM PHENOLIC MONOMERS AND THEIR MEDICAL USES
  申请人：Rutgers, The State University of New Jersey

  公开号：US20200369597A1

  公开（公告）日：2020-11-26

  Disclosed are new classes of diphenol compounds, derived from tyrosol or tyrosol analogues, which are useful as monomers for preparation of biocompatible polymers. Also disclosed are biocompatible polymers prepared from these monomeric diphenol compounds, including novel biodegradable and/or bioresorbable polymers of formula These biocompatible polymers or polymer compositions with enhanced bioresorbabilty and processibility are useful in a variety of medical applications, such as in medical devices and controlled-release therapeutic compositions. The invention also provides methods for preparing these monomeric diphenol compounds and biocompatible polymers.
• US5057535A
  申请人：——

  公开号：US5057535A

  公开（公告）日：1991-10-15