2,3,5-三甲基-6-(2-甲基丙-2-烯基)苯酚 | 142874-43-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2,3,5-三甲基-6-(2-甲基丙-2-烯基)苯酚
• 英文名称: 2,3,5-trimethyl-6-(2-methylprop-2-en-1-yl)phenol
• 英文别名: 2-(β-methylallyl)-3,5,6-trimethylphenol；2,3,5-Trimethyl-6-(2-methyl-2-propenyl)phenol；2-(2-methyl-2-propenyl)-3,5,6-trimethylphenol；Phenol, 2,3,5-trimethyl-6-(2-methyl-2-propenyl)-；2,3,5-trimethyl-6-(2-methylprop-2-enyl)phenol
• CAS: 142874-43-9
• 化学式: C₁₃H₁₈O
• 分子量: 190.285
• InChiKey: LKGHOOQBXDWIMR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 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：

  2,3,5-三甲基-6-(2-甲基丙-2-烯基)苯酚 在 N-溴代丁二酰亚胺(NBS) 、 对甲苯磺酸 作用下， 以 水 、 甲苯 、 乙腈 为溶剂， 反应 6.5h， 生成 5-bromo-2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran
  参考文献：
  名称：

  Discovery of Benzofuran Derivatives that Collaborate with Insulin-Like Growth Factor 1 (IGF-1) to Promote Neuroprotection

  摘要：

  A series of benzofuran derivatives with neuroprotective activity in collaboration with IGF-1 was discovered using a newly developed cell-based assay involving primary neural cells prepared from rat hippocampal and cerebral cortical tissues. A structure activity relationship study identified compound 8 as exhibiting potent activity and brain penetrability. An in vitro pharmacological study demonstrated that although IGF-1 and 8 individually exhibited the neuroprotective effect, the latter acted in collaboration with IGF-1 to enhance neuroprotective activity.

  DOI：

  10.1021/acs.jmedchem.6b00191
• 作为产物：
  描述：

  2,3,5-三甲基苯酚 在 potassium carbonate 、 N,N-二乙基苯胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 26.0h， 生成 2,3,5-三甲基-6-(2-甲基丙-2-烯基)苯酚
  参考文献：
  名称：

  Discovery of Benzofuran Derivatives that Collaborate with Insulin-Like Growth Factor 1 (IGF-1) to Promote Neuroprotection

  摘要：

  A series of benzofuran derivatives with neuroprotective activity in collaboration with IGF-1 was discovered using a newly developed cell-based assay involving primary neural cells prepared from rat hippocampal and cerebral cortical tissues. A structure activity relationship study identified compound 8 as exhibiting potent activity and brain penetrability. An in vitro pharmacological study demonstrated that although IGF-1 and 8 individually exhibited the neuroprotective effect, the latter acted in collaboration with IGF-1 to enhance neuroprotective activity.

  DOI：

  10.1021/acs.jmedchem.6b00191

文献信息

• Benzofuran derivatives
  申请人：Tsukamoto Tetsuya

  公开号：US20100234357A1

  公开（公告）日：2010-09-16

  The present invention provides a compound represented by the following formula (I): wherein: Ring A represents an optionally substituted piperazine ring, an optionally substituted morpholine ring, or an optionally substituted homopiperazine ring; R 1 and R 2 are the same or different from each other, and represent a hydrogen atom or optionally substituted lower alkyl; R 3 and R 4 are the same or different from each other, and represent a hydrogen atom or halogenated or non-halogenated lower alkyl; R 5 to R 7 are the same or different from each other, and represent a hydrogen atom, hydroxy, optionally substituted lower alkyl, optionally substituted lower alkenyl, optionally substituted lower alkoxy, optionally substituted cycloalkyl, optionally substituted aryl, an optionally substituted aromatic heterocyclic ring, optionally substituted amino, or acyl; and represents a single bond or double bond, or a salt thereof.

  本发明提供了一种由以下式（I）表示的化合物： 其中： 环A代表可选择地取代的哌嗪环、可选择地取代的吗啉环或可选择地取代的同环丙二胺环； R1和R2彼此相同或不同，代表氢原子或可选择地取代的较低烷基； R3和R4彼此相同或不同，代表氢原子或卤代或非卤代的较低烷基； R5到R7彼此相同或不同，代表氢原子、羟基、可选择地取代的较低烷基、可选择地取代的较低烯基、可选择地取代的较低烷氧基、可选择地取代的环烷基、可选择地取代的芳基、可选择地取代的芳香杂环、可选择地取代的氨基或酰基；和 代表单键或双键，或其盐。
• Phenylazole compounds production process and antioxidants
  申请人：Umeda Nobuhiro

  公开号：US20060247228A1

  公开（公告）日：2006-11-02

  The present invention is directed to compounds represented by the formula (1): B-D-Z  (1) [wherein B represent the following formula (B-1), (B-2) or (B-3); A represents an optionally substituted imidazole or pyrazole group; E represents the following formula (1a): X represents an oxygen atom, the formula: SOu, or the formula: N—R 9 ; Y represents a carbon atom or a nitrogen atom; D represents an oxygen atom, a sulfur atom or the formula (1a); Z represents (a chroman-2-yl group, a chroman-4-yl group, a 2,3-dihydrobenzofuran-2-yl group, a 2,3-dihydrobenzofuran-3-yl group, etc.) which is substituted with NHR 10 or OR 11 )] or pharmaceutically acceptable salts thereof, and to antioxidants, therapeutic agents for kidney diseases or cerebrovascular disorder, and retinal oxidative damage inhibitors, which include the compounds as the active ingredient.

  本发明涉及由式（1）表示的化合物：B-D-Z  （1）[其中B代表以下式（B-1），（B-2）或（B-3）;A代表可选取代的咪唑或吡唑基团;E代表以下式（1a）：X代表氧原子，式：SOu或式：N-R9; Y代表碳原子或氮原子;D代表氧原子、硫原子或式（1a）;Z代表（取代NHR10或OR11的香豆素-2-基基团、香豆素-4-基基团、2,3-二氢苯并呋喃-2-基基团、2,3-二氢苯并呋喃-3-基基团等）或其药学上可接受的盐，并且包括这些化合物作为活性成分的抗氧化剂、肾脏疾病或脑血管障碍治疗剂和视网膜氧化损伤抑制剂。
• PHENYLAZOLE COMPOUNDS, PRODUCTION PROCESS AND ANTIOXIDANTS
  申请人：Umeda Nobuhiro

  公开号：US20090306055A1

  公开（公告）日：2009-12-10

  The present invention is directed to compounds represented by the formula (1): B-D-Z (1), wherein B represent the following formula (B-1), A represents an optionally substituted imidazole or pyrazole group; E represents the following formula (1a): X represents an oxygen atom, the formula: SOu, or the formula: N—R 9 ; Y represents a carbon atom or a nitrogen atom; D represents an oxygen atom, a sulfur atom or the formula (1a); Z represents (a chroman-2-yl group, a chroman-4-yl group, a 2,3-dihydrobenzofuran-2-yl group, a 2,3-dihydrobenzofuran-3-yl group, etc.) which is substituted with NHR 10 or OR 11 )] or pharmaceutically acceptable salts thereof, and to antioxidants, therapeutic agents for kidney diseases or cerebrovascular disorder, and retinal oxidative damage inhibitors, which include the compounds as the active ingredient.

  本发明涉及由式(1)表示的化合物：B-D-Z(1)，其中B代表以下式(B-1)，A代表可选取代的咪唑或吡唑基团；E代表以下式(1a)：X代表氧原子，式：SOu，或式：N—R9；Y代表碳原子或氮原子；D代表氧原子、硫原子或式(1a)；Z代表（一个被NHR10或OR11取代的2-色基基团、4-色基基团、2,3-二氢苯并呋喃-2-基基团、2,3-二氢苯并呋喃-3-基基团等）或其药学上可接受的盐，以及将该化合物作为活性成分的抗氧化剂、肾脏疾病或脑血管疾病的治疗剂和视网膜氧化损伤抑制剂。
• BENZOFURAN DERIVATIVES
  申请人：Tsukamoto Tetsuya

  公开号：US20120046277A1

  公开（公告）日：2012-02-23

  The present invention provides a compound represented by the following formula (I): wherein: Ring A represents an optionally substituted piperazine ring, an optionally substituted morpholine ring, or an optionally substituted bromopiperazine ring; R 1 and R 2 are the same or different from each other, and represent a hydrogen atom or optionally substituted lower alkyl; R 3 and R 4 are the same or different from each other, and represent a hydrogen atom or halogenated or non-halogenated lower alkyl; R 3 to R 7 are the same or different from each other, and represent a hydrogen atom, hydroxy, optionally substituted lower alkyl, optionally substituted lower alkenyl, optionally substituted lower alkoxy, optionally substituted cycloakyl, optionally substituted aryl, an optionally substituted aromatic heterocyclic ring, optionally substituted amino, or acyl; and represents a single bond or double bond, wherein R 2 and R 3 do not exist when carbon atoms respectively adjacent to R 2 : and R 3 form a double bond, and there is no case where all of R 1 to R 7 are hydrogen atoms, and R 1 and R 2 ; may form a ring together with an adjacent carbon atom; or a salt thereof.

  本发明提供了以下式(I)所表示的化合物：其中：环A表示可选取代的哌嗪环、可选取代的吗啡环或可选取代的溴代哌嗪环；R1和R2相同或不同，表示氢原子或可选取代的较低烷基；R3和R4相同或不同，表示氢原子或卤代或非卤代的较低烷基；R3到R7相同或不同，表示氢原子、羟基、可选取代的较低烷基、可选取代的较低烯基、可选取代的较低烷氧基、可选取代的环烷基、可选取代的芳基、可选取代的芳香族杂环环、可选取代的氨基或酰基；表示单键或双键，其中当R2和R3分别相邻的碳原子形成双键时，R2和R3不存在，且不存在R1到R7全为氢原子的情况，R1和R2可以与相邻碳原子共同形成环；或其盐。
• Aminocoumaran derivatives, their production and use
  申请人：TAKEDA CHEMICAL INDUSTRIES, LTD.

  公开号：EP0483772A1

  公开（公告）日：1992-05-06

  A novel aminocoumaran derivatives of the general formula (I): wherein R¹ and R² are a hydrogen atom, an acyl group, an alkoxycarbonyl group, an aliphatic group or aromatic group; R³, R⁴ and R⁵ are an optionally acylated hydroxyl, optionally substituted amino group, alkoxy group or aliphatic group, or two of R³, R⁴ and R⁵ may be linked together to form a carbocyclic group; R⁶ and R⁷ are an aliphatic group and at least one of them has a methylene group at the α-position; R⁸ and R⁹ are a hydrogen atom or an aliphatic group or aromatic group, or a salt thereof is useful for medicines for preventing and treating various diseases such as arterial sclerosis, hepatopathy, cerebrovascular diseases and the like.

  通式 (I) 的新型氨基香豆素衍生物： 其中 R¹ 和 R² 是氢原子、酰基、烷氧羰基、脂肪族基团或芳香族基团；R³、R⁴ 和 R⁵ 是任选酰化的羟基、任选取代的氨基、烷氧基或脂肪族基团，或者两个 R³、R⁴ 和 R⁵ 可以连接在一起形成碳环基团；R⁶ 和 R⁷ 是脂肪族基团，且其中至少一个在 α 位上有亚甲基； R⁸ 和 R⁹ 是氢原子或脂肪族基团或芳香族基团，或其盐可用于预防和治疗动脉硬化、肝病、脑血管疾病等各种疾病的药物。