4-methoxy-2-isopropylphenylboronic acid | 313667-09-3

• 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-methoxy-2-isopropylphenylboronic acid
• 英文别名: 2-isopropyl-4-methoxyphenyl boronic acid；4-methoxy-2-isopropyl-phenylboronic acid；(4-methoxy-2-propan-2-ylphenyl)boronic acid
• CAS: 313667-09-3
• 化学式: C₁₀H₁₅BO₃
• 分子量: 194.038
• InChiKey: XCGLJABEWPHFMX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  14
• 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：
  49.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-methoxy-2-isopropylphenylboronic acid 、 diethyl 8-bromo-7-quinolinylphosphonate 在 2-双环己基膦-2',6'-二甲氧基联苯 、 potassium phosphate 、 tris-(dibenzylideneacetone)dipalladium(0) 作用下， 生成 diethyl 8-(2-isopropyl-4-methoxyphenyl)-7-quinolinylphosphonate
  参考文献：
  名称：

  具有可调二面角的手性桥对映异构单膦配体的合成及其在不对称Suzuki-Miyaura偶联反应中的应用

  摘要：

  在非对映体联芳基单膦化合物的构建中，首先通过底物定向的不对称环化反应实现了精确的手性识别。因此，成功地合成了具有可调二面角的一系列新的手性桥联的阻转异构联苯单膦配体，而无需拆分步骤。使用这些配体，通过钯催化的不对称Suzuki偶联反应，可以制备42-97％的产率的轴向手性1,1'-联芳基-2-膦酸酯，包括首次报道的喹啉基联芳基膦酸酯，最高可达96％ee。

  DOI：

  10.1002/adsc.201700020
• 作为产物：
  描述：

  1-bromo-2-isopropyl-4-methoxy-benzene 在 正丁基锂 、 硼酸三异丙酯 、 盐酸 、 水 作用下， 以 正己烷 为溶剂， 反应 0.67h， 生成 4-methoxy-2-isopropylphenylboronic acid
  参考文献：
  名称：

  SUBSTITUTED DIHYDRO AND TETRAHYDRO OXAZOLOPYRIMIDINONES, PREPARATION AND USE THEREOF

  摘要：

  本发明涉及一系列取代二氢和四氢噁唑嘧啶酮，具体地说，涉及一系列式(I)的2-取代-2,3-二氢-噁唑并[3,2-a]嘧啶-7-酮和2-取代-2,3,5,6-四氢-噁唑并[3,2-a]嘧啶-7-酮： 其中p、n、X、Y、R1、R2、R3、R4、R5、R6、R7和R8如本文所定义。本发明还涉及制备这些化合物的方法，包括新颖的中间体。本发明的化合物是代谢型谷氨酸受体（mGluR）的调节剂，特别是mGluR2受体。因此，本发明的化合物在药物制剂中具有用途，特别是在治疗和/或预防各种中枢神经系统疾病（CNS）方面，包括但不限于急性和慢性神经退行性疾病、精神病、癫痫、焦虑、抑郁、偏头痛、疼痛、睡眠障碍和呕吐。

  公开号：

  US20100075994A1

文献信息

• Substituted heterocycle fused gamma-carbolines
  申请人：Bristol-Myers Squibb Pharma Company

  公开号：US06548493B1

  公开（公告）日：2003-04-15

  The present invention is directed to certain novel compounds represented by structural Formula (I) or pharmaceutically acceptable salt forms thereof, wherein R1, R5, R6a, R6b, R7, R8, R9, X, b, k, m, and n, and the dashed lines are described herein. The invention is also concerned with pharmaceutical formulations comprising these novel compounds as active ingredients and the use of the novel compounds and their formulations in the treatment of certain disorders. The compounds of this invention are serotonin agonists and antagonists and are useful in the control or prevention of central nervous system disorders including obesity, anxiety, depression, psychosis, schizophrenia, sleep disorders, sexual disorders, migraine, conditions associated with cephalic pain, social phobias, and gastrointestinal disorders such as dysfunction of the gastrointestinal tract motility.

  本发明涉及由结构式（I）表示的某些新化合物或其药用可接受的盐形式，其中R1、R5、R6a、R6b、R7、R8、R9、X、b、k、m和n以及虚线在此处描述。本发明还涉及包含这些新化合物作为活性成分的药物配方，以及在治疗某些疾病中使用这些新化合物及其配方。本发明的化合物是5-羟色胺激动剂和拮抗剂，在控制或预防包括肥胖、焦虑、抑郁症、精神病、精神分裂症、睡眠障碍、性功能障碍、偏头痛、头痛相关疾病、社交恐惧症以及胃肠道疾病（如胃肠道运动功能障碍）等中枢神经系统疾病方面具有用处。
• Substituted heterocyle fused gamma-carbolines
  申请人：Robichaud J. Albert

  公开号：US20060178362A1

  公开（公告）日：2006-08-10

  The present invention is directed to compounds useful for treating addictive behavior and sleep disorders represented by structural Formula (I) or pharmaceutically acceptable salt forms thereof, wherein R 1 , R 5 , R 6a , R 6b , R 7 , R 8 , R 9 , X, b, k, m, and n, and the dashed lines are described herein. The compounds used in the method of treatment of this invention are serotonin agonists and antagonists and are useful in the control or prevention of central nervous system disorders including addictive behavior and sleep disorders.

  本发明涉及用于治疗成瘾行为和睡眠障碍的化合物，其结构式表示为(I)，或其药学上可接受的盐形式，其中R1、R5、R6a、R6b、R7、R8、R9、X、b、k、m和n以及虚线如本文所述。本发明方法中使用的化合物是5-羟色胺激动剂和拮抗剂，并且对于控制或预防包括成瘾行为和睡眠障碍在内的中枢神经系统疾病是有用的。
• Substituted dihydro and tetrahydro oxazolopyrimidinones, preparation and use thereof
  申请人：Cao Bin

  公开号：US08642603B2

  公开（公告）日：2014-02-04

  The present invention relates to a series of substituted dihydro and tetrahydro oxazolopyrimidinones, specifically, to a series of 2-substituted-2,3-dihydro-oxazolo[3,2-a]pyrimidin-7-ones and 2-substituted-2,3,5,6-tetra-hydro-oxazolo[3,2-a]pyrimidin-7-ones of formula (I): Wherein p, n, X, Y, R1, R2, R3, R4, R5, R6, R7 and R8 are as defined herein. This invention also relates to methods of making these compounds including novel intermediates. The compounds of this invention are modulators of metabotropic glutamate receptors (mGluR), particularly, mGluR2 receptor. Therefore, the compounds of this invention are useful as pharmaceutical agents, especially in the treatment and/or prevention of a variety of central nervous system disorders (CNS), including but not limited to acute and chronic neurodegenerative conditions, psychoses, convulsions, anxiety, depression, migraine, pain, sleep disorders and emesis.

  本发明涉及一系列取代的二氢和四氢噁唑嘧啶酮，具体地说，涉及一系列式(I)的2-取代-2,3-二氢噁唑并[3,2-a]嘧啶-7-酮和2-取代-2,3,5,6-四氢噁唑并[3,2-a]嘧啶-7-酮，其中p，n，X，Y，R1，R2，R3，R4，R5，R6，R7和R8如本文所定义。本发明还涉及制备这些化合物的方法，包括新的中间体。本发明的化合物是代谢型谷氨酸受体（mGluR）的调节剂，特别是mGluR2受体。因此，本发明的化合物在制药领域中有用，特别是在治疗和/或预防各种中枢神经系统疾病（CNS）方面，包括但不限于急性和慢性神经退行性疾病、精神病、惊厥、焦虑、抑郁、偏头痛、疼痛、睡眠障碍和呕吐。
• SUBSTITUTED DIHYDRO AND TETRAHYDRO OXAZOLOPYRIMIDINONES, PREPARATION AND USE THEREOF
  申请人：CAO Bin

  公开号：US20100075994A1

  公开（公告）日：2010-03-25

  The present invention relates to a series of substituted dihydro and tetrahydro oxazolopyrimidinones, specifically, to a series of 2-substituted-2,3-dihydro-oxazolo[3,2-a]pyrimidin-7-ones and 2-substituted-2,3,5,6-tetra-hydro-oxazolo[3,2-a]pyrimidin-7-ones of formula (I): Wherein p, n, X, Y, R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 and R 8 are as defined herein. This invention also relates to methods of making these compounds including novel intermediates. The compounds of this invention are modulators of metabotropic glutamate receptors (mGluR), particularly, mGluR2 receptor. Therefore, the compounds of this invention are useful as pharmaceutical agents, especially in the treatment and/or prevention of a variety of central nervous system disorders (CNS), including but not limited to acute and chronic neurodegenerative conditions, psychoses, convulsions, anxiety, depression, migraine, pain, sleep disorders and emesis.

  本发明涉及一系列取代二氢和四氢噁唑嘧啶酮，具体地说，涉及一系列式(I)的2-取代-2,3-二氢-噁唑并[3,2-a]嘧啶-7-酮和2-取代-2,3,5,6-四氢-噁唑并[3,2-a]嘧啶-7-酮： 其中p、n、X、Y、R1、R2、R3、R4、R5、R6、R7和R8如本文所定义。本发明还涉及制备这些化合物的方法，包括新颖的中间体。本发明的化合物是代谢型谷氨酸受体（mGluR）的调节剂，特别是mGluR2受体。因此，本发明的化合物在药物制剂中具有用途，特别是在治疗和/或预防各种中枢神经系统疾病（CNS）方面，包括但不限于急性和慢性神经退行性疾病、精神病、癫痫、焦虑、抑郁、偏头痛、疼痛、睡眠障碍和呕吐。
• Synthesis of Chiral-Bridged Atropisomeric Monophosphine Ligands with Tunable Dihedral Angles and their Applications in Asymmetric Suzuki-Miyaura Coupling Reactions
  作者：Wang Xia、Yongsu Li、Zihong Zhou、Huixuan Chen、Hao Liang、Sifan Yu、Xuefeng He、Yaqi Zhang、Jiyan Pang、Zhongyuan Zhou、Liqin Qiu

  DOI：10.1002/adsc.201700020

  日期：2017.5.17

  construction of diastereomeric biaryl monophosphines by means of the substrate-directed asymmetric annulation reactions. A series of new chiral-bridged atropisomeric biphenyl monophosphine ligands with tunable dihedral angles was accordingly synthesized successfully without a resolution step being needed. Using these ligands, different kinds of axially chiral 1,1′-biaryl-2-phosphonates including the first

  在非对映体联芳基单膦化合物的构建中，首先通过底物定向的不对称环化反应实现了精确的手性识别。因此，成功地合成了具有可调二面角的一系列新的手性桥联的阻转异构联苯单膦配体，而无需拆分步骤。使用这些配体，通过钯催化的不对称Suzuki偶联反应，可以制备42-97％的产率的轴向手性1,1'-联芳基-2-膦酸酯，包括首次报道的喹啉基联芳基膦酸酯，最高可达96％ee。