(2R)-6-iodo-3,4-dihydro-2H-chromene-2-carboxylic acid | 437763-84-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: (2R)-6-iodo-3,4-dihydro-2H-chromene-2-carboxylic acid
• 英文别名: (2R)-6-Iodochromane-2-carboxylic acid
• CAS: 437763-84-3
• 化学式: C₁₀H₉IO₃
• 分子量: 304.084
• InChiKey: KUUOJGIUGRFQCR-SECBINFHSA-N

物化性质

• 沸点：
  426.6±45.0 °C(Predicted)
• 密度：
  1.881±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (2R)-6-iodo-3,4-dihydro-2H-chromene-2-carboxylic acid 在 ammonium acetate 、 N,N'-羰基二咪唑 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以85%的产率得到(2R)-6-iodochromane-2-carboxamide
  参考文献：
  名称：

  旋光的6-取代的2-（氨基甲基）苯并二氢吡喃的合成

  摘要：

  从容易获得的苯并二氢吡喃2-羧酸前体合成了三种新型的旋光的6-取代的2-（氨基甲基）苯并吡喃。这些含苯并二氢吡喃的伯胺是合成苯并二氢吡喃衍生物的有用试剂。

  DOI：

  10.1016/j.tetlet.2004.05.037
• 作为产物：
  描述：

  苯并二氢吡喃-2-羧酸 在 N,N,N-trimethylbenzenemethanaminium dichloroiodate 、 溶剂黄146 、 zinc(II) chloride 作用下， 生成 (2R)-6-iodo-3,4-dihydro-2H-chromene-2-carboxylic acid
  参考文献：
  名称：

  Potent and highly selective kappa opioid receptor agonists incorporating chroman- and 2,3-dihydrobenzofuran-based constraints

  摘要：

  Two novel chemical classes of kappa opioid receptor agonists, chroman-2-carboxamide derivatives and 2,3-dihydrobenzofuran-2-carboxamide derivatives, were synthesized. These agents exhibited high and selective affinity for the kappa opioid receptor. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.08.094

文献信息

• Fused bicyclic carboxamide derivatives and methods of their use
  申请人：Dolle E. Roland

  公开号：US20050054630A1

  公开（公告）日：2005-03-10

  Fused bicyclic carboxamide derivatives are disclosed. Pharmaceutical compositions containing the compounds and methods for their use are also disclosed.

  揭示了融合的双环羧酰胺衍生物。还公开了含有这些化合物的药物组合物以及它们的使用方法。
• 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists
  申请人：——

  公开号：US20030078260A1

  公开（公告）日：2003-04-24

  This invention relates to novel 2,6-substituted chroman derivatives which are useful in the treatment of beta-3 adrenoreceptor-mediated conditions.

  这项发明涉及新颖的2,6-取代的色苷衍生物，可用于治疗β-3肾上腺素受体介导的疾病。
• Di-substituted aminomethyl-chroman derivative beta-3 adrenoreceptor agonists
  申请人：——

  公开号：US20030078258A1

  公开（公告）日：2003-04-24

  This invention is related to novel di-substituted aminomethyl chroman derivatives which are useful in the treatment of beta-3 receptor-mediated conditions.

  这项发明涉及新型二取代氨甲基色苷衍生物，可用于治疗β-3受体介导的疾病。
• [EN] 2- ( (2, 3-DIHYDROXYPROPYL) AMINOMETHYL) CHROMANE DERIVATIVES FOR USE AS BETA-3 ADRENORECEPTOR AGONISTS IN THE TREATMENT OF UROLOGICAL AND INFLAMMATORY DISORDERS<br/>[FR] DERIVES DE 2- ( (2, 3-DIHYDROXYPROPYL) AMINOMETHYL) CHROMANE DESTINES A ETRE UTILISES EN TANT QU'AGONISTES DU RECEPTEUR ADRENERGIQUE BETA-3 DANS LE TRAITEMENT DE TROUBLES UROLOGIQUES ET INFLAMMATOIRES
  申请人：BAYER HEALTHCARE AG

  公开号：WO2005056544A1

  公开（公告）日：2005-06-23

  This invention relates to chroman derivatives of formula (I) and salts thereof which are useful as active ingredients of pharmaceutical preparations. The chroman derivatives of the present invention have an excellent activity as BETA 3 antagonists and are useful for the prophylaxis and treatment of diseases associated with BETA 3 activity, in particular for the treatment of urological disorder or disease, such as detrusor overactivity (overactive bladder), urinary incontinence, neurogenic detrusor overactivity (detrusor hyperflexia), idiopathic detrusor overactivity (detrusor instability), benign prostatic hyperplasia, and lower urinary tract symptoms; and inflammatory disorders, such as asthma and COPD.

  这项发明涉及公式（I）的类胡萝卜素衍生物及其盐，其可用作药物制剂的活性成分。本发明的类胡萝卜素衍生物作为BETA 3拮抗剂具有出色的活性，并可用于预防和治疗与BETA 3活性相关的疾病，特别是用于治疗泌尿系统紊乱或疾病，如膀胱过度活动（过度活跃膀胱）、尿失禁、神经源性膀胱过度活动（膀胱过度反射）、特发性膀胱过度活动（膀胱不稳定）、良性前列腺增生和下尿路症状；以及炎症性疾病，如哮喘和慢性阻塞性肺病（COPD）。
• Chroman derivatives
  申请人：Boyer J. Stephen

  公开号：US20050222247A1

  公开（公告）日：2005-10-06

  This invention relates to chroman derivatives and salts thereof which are useful as active ingredients of pharmaceutical preparations. The chroman derivatives of the present invention have an excellent activity as BETA 3 antagonists and are useful for the prophylaxis and treatment of diseases associated with BETA 3 activity, in particular for the treatment of urological disorder or disease, such as detrusor overactivity (overactive bladder), urinary incontinence, neurogenic detrusor oeractivity (detrusor hyperflexia), idiopathic detrusor overactivity (detrusor instability), benign prostatic hyperplasia, and lower urinary tract symptoms; and inflammatory disorders, such as asthma and COPD.

  本发明涉及一种具有药物制剂活性成分的色酮衍生物及其盐。本发明的色酮衍生物具有优异的BETA 3拮抗剂活性，并可用于预防和治疗与BETA 3活性相关的疾病，特别是用于治疗泌尿系统紊乱或疾病，如膀胱过度活动（过度活动膀胱）、尿失禁、神经源性膀胱过度活动（膀胱过度反射）、特发性膀胱过度活动（膀胱不稳定）、良性前列腺增生和下尿路症状；以及炎症性疾病，如哮喘和慢性阻塞性肺疾病。