Toluene-4-sulfonic acid (R)-8-ethoxy-2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl ester | 473968-96-6

• 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: Toluene-4-sulfonic acid (R)-8-ethoxy-2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl ester
• 英文别名: [(2R)-8-ethoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl]methyl 4-methylbenzenesulfonate；[(3R)-5-ethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-methylbenzenesulfonate
• CAS: 473968-96-6
• 化学式: C₁₈H₂₀O₆S
• 分子量: 364.419
• InChiKey: JTJVBBCZDKFBPJ-CQSZACIVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  79.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  、 Toluene-4-sulfonic acid (R)-8-ethoxy-2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl ester 生成
  参考文献：
  名称：

  Modulation of selective serotonin reuptake inhibitor and 5-HT1A antagonist activity in 8-aza-bicyclo[3.2.1]octane derivatives of 2,3-dihydro-1,4-benzodioxane

  摘要：

  2,3-Dihydro-1,4-benzodioxanes with aryl 8-aza-bicyclo[3.2.1]oct-3-ene attachments 2 produce compounds with potent 5-HT-T affinity, and weak 5-HT1A affinity and a, affinity. This compares with 2,3-dihydro-1,4-benzodioxanes containing 8-aza-bicyclo[3.2.1] octan-3-ol attachments 4 which possess potent 5-HT1A affinity, moderate to good selectivity over a, and little 5-HT-T affinity. A 3-benzothiophene analogue of 4 (30) was synthesized which possesses potent 5-HT1A affinity and especially good selectivity over both a, and 5-HT-T. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.10.024
• 作为产物：
  描述：

  2,3-二羟基苯甲醛 在 palladium on activated charcoal 4-二甲氨基吡啶 、 aluminum oxide 、 1,4-环己二烯 、 TEA 、 sodium hydride 、 碳酸氢钠 、 间氯过氧苯甲酸 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 Toluene-4-sulfonic acid (R)-8-ethoxy-2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl ester
  参考文献：
  名称：

  Modulation of selective serotonin reuptake inhibitor and 5-HT1A antagonist activity in 8-aza-bicyclo[3.2.1]octane derivatives of 2,3-dihydro-1,4-benzodioxane

  摘要：

  2,3-Dihydro-1,4-benzodioxanes with aryl 8-aza-bicyclo[3.2.1]oct-3-ene attachments 2 produce compounds with potent 5-HT-T affinity, and weak 5-HT1A affinity and a, affinity. This compares with 2,3-dihydro-1,4-benzodioxanes containing 8-aza-bicyclo[3.2.1] octan-3-ol attachments 4 which possess potent 5-HT1A affinity, moderate to good selectivity over a, and little 5-HT-T affinity. A 3-benzothiophene analogue of 4 (30) was synthesized which possesses potent 5-HT1A affinity and especially good selectivity over both a, and 5-HT-T. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.10.024

文献信息

• [EN] ANTIDEPRESSANT CYCLOALKYLAMINE DERIVATIVES OF 2,3-DIHYDRO-1,4-BENZODIOXAN<br/>[FR] DERIVES CYCLOALKYLAMINE DE 2,3-DIHYDRO-1,4-BENZODIOXANE ANTIDEPRESSEURS
  申请人：WYETH CORP

  公开号：WO2004024723A1

  公开（公告）日：2004-03-25

  Compounds of the formula I: are useful for the treatment of depression (including but not limited to major depressive disorder, childhood depression and dysthymia), anxiety, panic disorder, post-traumatic stress disorder, premenstrual dysphoric disorder (also known as premenstrual syndrome), attention deficit disorder (with and without hyperactivity), obsessive compulsive disorder, social anxiety disorder, generalized anxiety disorder, obesity, eating disorders such as anorexia nervosa and bulimia nervosa, vasomotor flushing, cocaine and alcohol addiction, sexual dysfunction and related illnesses.

  公式I的化合物对于治疗抑郁症（包括但不限于重度抑郁障碍、儿童抑郁症和持续性抑郁障碍）、焦虑症、惊恐障碍、创伤后应激障碍、月经前症候群（也称为经前期症候群）、注意力缺陷多动障碍（有或没有多动症）、强迫症、社交焦虑障碍、广泛性焦虑障碍、肥胖症、厌食症和贪食症、血管运动性潮红、可卡因和酒精成瘾、性功能障碍及相关疾病具有有益作用。
• [EN] INTEGRIN RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES DU RECEPTEUR DE L'INTEGRINE
  申请人：MERCK & CO., INC.

  公开号：WO1999030709A1

  公开（公告）日：1999-06-24

  (EN) The present invention relates to compounds and derivatives thereof, their synthesis, and their use as vitronectin receptor antagonists. More particularly, the compounds of the present invention are antagonists of the vitronectin receptors $g(a)v$g(b)3 and/or $g(a)v$g(b)5 and are useful for inhibiting bone resorption, treating and preventing osteoporosis, and inhibiting vascular restenosis, diabetic retinopathy, macular degeneration, angiogenesis, atherosclerosis, inflammation, viral disease, and tumor growth.(FR) L'invention concerne des composés et des dérivés desdits composés, leurs synthèses et leur utilisation comme antagonistes du récepteur de vitronectine. Plus particulièrement, les composés de l'invention sont des antagonistes des récepteurs $g(a)$g(n)$g(b)3 et/ou $g(a)$g(n)$g(b)5 de vitronectine, et conviennent comme inhibiteurs de la résorption osseuse, produits de traitement ou de prévention de l'ostéoporose, ou inhibiteurs de la resténose vasculaire, de la rétinopathie diabétique, de la dégénérescence maculaire, de l'angiogenèse, de l'athérosclérose, de l'inflammation, de maladies virales et de la croissance tumorale.

  本发明涉及化合物及其衍生物、它们的合成以及它们作为vitronectin受体拮抗剂的用途。更具体地说，本发明的化合物是vitronectin受体$g(a)v$g(b)3和/或$g(a)v$g(b)5的拮抗剂，适用于抑制骨吸收、治疗和预防骨质疏松症、抑制血管再狭窄、糖尿病视网膜病变、黄斑变性、血管新生、动脉硬化、炎症、病毒性疾病和肿瘤生长。 本发明涉及化合物及其衍生物、其合成以及其作为vitronectin受体拮抗剂的用途。更具体地说，本发明的化合物是vitronectin受体$g(a)$g(n)$g(b)3和/或$g(a)$g(n)$g(b)5的拮抗剂，适用于抑制骨吸收、治疗和预防骨质疏松症、抑制血管再狭窄、糖尿病视网膜病变、黄斑变性、血管新生、动脉硬化、炎症、病毒性疾病和肿瘤生长。
• Antidepressant cycloalkylamine derivatives of 2,3-dihydro-1,4-Benzodioxan
  申请人：Evrard Ann Deborah

  公开号：US20060148881A1

  公开（公告）日：2006-07-06

  Compounds of the Formula I: are useful for the treatment of depression (including but not limited to major depressive disorder, childhood depression and dysthymia), anxiety, panic disorder, post-traumatic stress disorder, premenstrual dysphoric disorder (also known as pre-menstrual syndrome), attention deficit disorder (with and without hyperactivity), obsessive compulsive disorder, social anxiety disorder, generalized anxiety disorder, obesity, eating disorders such as anorexia nervosa and bulimia nervosa, vasomotor flushing, cocaine and alcohol addiction, sexual dysfunction and related illnesses.

  I式化合物可用于治疗抑郁症（包括但不限于重度抑郁症、儿童抑郁症和心境不良）、焦虑症、惊恐障碍、创伤后应激障碍、经前期不良情绪障碍（也称经前综合征）、注意力缺陷多动障碍、强迫症、社交焦虑症、广泛性焦虑症、肥胖症、进食障碍如厌食症和贪食症、血管运动性潮红、可卡因和酒精成瘾、性功能障碍及相关疾病。
• Antidepressant cycloalkylamine derivatives of 2,3-dihydro-1,4-benzodioxan
  申请人：——

  公开号：US20040127543A1

  公开（公告）日：2004-07-01

  Compounds of the Formula I: 1 are useful for the treatment of depression (including but not limited to major depressive disorder, childhood depression and dysthymia), anxiety, panic disorder, post-traumatic stress disorder, premenstrual dysphoric disorder (also known as pre-menstrual syndrome), attention deficit disorder (with and without hyperactivity), obsessive compulsive disorder, social anxiety disorder, generalized anxiety disorder, obesity, eating disorders such as anorexia nervosa and bulimia nervosa, vasomotor flushing, cocaine and alcohol addiction, sexual dysfunction and related illnesses.

  公式I：1的化合物对于治疗抑郁症（包括但不限于重度抑郁症、儿童抑郁症和慢性低落情绪）、焦虑、惊恐障碍、创伤后应激障碍、经前期失调症（也称经前综合征）、注意力缺陷障碍（有和没有过度活跃）、强迫症、社交焦虑障碍、广泛性焦虑障碍、肥胖症、进食障碍（如厌食症和贪食症）、血管运动性潮红、可卡因和酒精成瘾、性功能障碍和相关疾病有用。
• INTEGRIN RECEPTOR ANTAGONISTS
  申请人：MERCK & CO., INC.

  公开号：EP1044001A1

  公开（公告）日：2000-10-18