methyl 5-(acetylamino)-3,4-dihydro-2H-chromene-8-carboxylate | 132976-76-2

• 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: methyl 5-(acetylamino)-3,4-dihydro-2H-chromene-8-carboxylate
• 英文别名: methyl 5-(acetylamino)-3,4-dihydro-2H-1-benzopyran-8-carboxylate；5-Acetylaminochroman-8-carboxylic acid, methyl ester；methyl 5-acetamido-3,4-dihydro-2H-chromene-8-carboxylate
• CAS: 132976-76-2
• 化学式: C₁₃H₁₅NO₄
• 分子量: 249.266
• InChiKey: QXWPMYRICFIHKD-UHFFFAOYSA-N

物化性质

• 熔点：
  171.8 °C
• 沸点：
  478.7±45.0 °C(Predicted)
• 密度：
  1.257±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  64.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methyl 5-(acetylamino)-3,4-dihydro-2H-chromene-8-carboxylate 在 N-溴代丁二酰亚胺(NBS) 、 溶剂黄146 作用下， 以 1,4-二氧六环 为溶剂， 反应 22.0h， 以88%的产率得到methyl 5-(acetylamino)-6-bromo-3,4-dihydro-2H-chromene-8-carboxylate
  参考文献：
  名称：

  WO2007/68739

  摘要：

  公开号：
• 作为产物：
  描述：

  methyl 5-acetylamino-6-chloro-2H-chromene-8-carboxylate 在 palladium 10% on activated carbon 、 氢气 、 三乙胺 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 20.0 ℃ 、120.0 kPa 条件下， 反应 18.0h， 以67%的产率得到methyl 5-(acetylamino)-3,4-dihydro-2H-chromene-8-carboxylate
  参考文献：
  名称：

  Implementation of a High-Temperature Claisen Approach for Early Phase Delivery of a Benzopyran Derivative

  摘要：

  Control of trace inorganics and,in understanding of reaction kinetics and impurity generation proved critical in allowing safe and reliable scale-tip of a high-temperature Claisen reaction in support of multikilogram manufacture of a key chromene intermediate 4. Implementation of a Medicinal Chemistry route allowed for rapid early phase delivery of I to support early clinical studies.

  DOI：

  10.1021/op900193v

文献信息

• N-(3-hydroxy-4-piperidinyl)(dihydrobenzofuran, dihydro-2H-benzopyran or
  申请人：Janssen Pharmaceutica N.V.

  公开号：US05374637A1

  公开（公告）日：1994-12-20

  N-(3-hydroxy-4-piperidinyl)(dihydrobenzofuran, dihydro-2H-benzopyran or dihydrobenzodioxin)carboxamide derivatives, their N-oxide forms and pharmaceutically acceptable salts having gastrointestinal motility stimulating properties, compositions containing these compounds as active ingredient and methods of treating warm-blooded animals suffering from the decreased peristalsis of the gastrointestinal system.

  N-(3-羟基-4-哌啶基)(二氢苯并呋喃、二氢-2H-苯并吡喃或二氢苯并二氧杂环)羧酰胺衍生物，其N-氧化物形式和具有促进胃肠道蠕动性能的药用可接受盐，包含这些化合物作为活性成分的组合物以及治疗患有胃肠系统蠕动减弱的温血动物的方法。
• Bicyclic modulators of androgen receptor function
  申请人：——

  公开号：US20040019063A1

  公开（公告）日：2004-01-29

  The invention provides for a pharmaceutical composition capable of modulating the androgen receptor comprising a compound of formula I 1 wherein the substitutents are as described herein. Further provided are methods of using such compounds for the treatment of nuclear hormone receptor-associated conditions, such as age related diseases, for example sarcopenia. Also provided are pharmaceutical compositions containing such compounds and processes for preparing some of the compounds of the invention.

  本发明提供了一种药物组合物，能够调节雄激素受体，包括式I1的化合物，其中取代基如本文所述。还提供了使用这种化合物治疗核激素受体相关疾病的方法，例如与年龄相关的疾病，如肌肉萎缩症。还提供了包含这种化合物的药物组合物和制备本发明中某些化合物的方法。
• NOVEL COMPOUNDS
  申请人：Ahmed Mahmood

  公开号：US20070232657A1

  公开（公告）日：2007-10-04

  The present invention relates to a novel benzamide derivative having pharmacological activity, to processes for its preparation, to compositions containing it and to its use in the treatment of diseases treatable by 5-HT4 receptor activation.

  本发明涉及一种具有药理活性的新型苯甲酰胺衍生物，其制备方法，包含其的组合物以及在治疗可通过5-HT4受体激活治疗的疾病中的应用。
• BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION
  申请人：Sun Chong-Qing

  公开号：US20080108649A1

  公开（公告）日：2008-05-08

  There are provided compounds according to formula I wherein the substitutents are as described herein. Further provided are methods of using such compounds for the treatment of nuclear hormone receptor-associated conditions, such as age related diseases, for example sarcopenia. Also provided are pharmaceutical compositions containing such compounds and processes for preparing some of the compounds of the invention. Other embodiments are also disclosed.

  提供了按公式I描述的化合物，其中取代基如此描述。还提供了使用这种化合物治疗核激素受体相关疾病的方法，例如与年龄相关的疾病，例如肌肉萎缩症。还提供了含有这种化合物的药物组合物和制备本发明部分化合物的方法。还揭示了其他实施例。
• WO2007/96352
  申请人：——

  公开号：——

  公开（公告）日：——