(R,S)-6-nitro-chroman-2-carboxylic acid methyl ester | 847948-84-9

• 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: (R,S)-6-nitro-chroman-2-carboxylic acid methyl ester
• 英文别名: 6-Nitro-chroman-2-carboxylic acid methyl ester；methyl 6-nitro-3,4-dihydro-2H-chromene-2-carboxylate
• CAS: 847948-84-9
• 化学式: C₁₁H₁₁NO₅
• 分子量: 237.212
• InChiKey: OBWPFAAZBJKMKR-UHFFFAOYSA-N

物化性质

• 沸点：
  368.0±42.0 °C(Predicted)
• 密度：
  1.341±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  81.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (R,S)-6-nitro-chroman-2-carboxylic acid methyl ester 在 palladium 10% on activated carbon 氢气 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 以100%的产率得到methyl 6-aminochromane-2-carboxylate
  参考文献：
  名称：

  Fused bicyclic carboxamide derivatives and methods of their use

  摘要：

  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。

  公开号：

  US20050054630A1
• 作为产物：
  描述：

  苯并二氢吡喃-2-羧酸 在 盐酸 、 硝酸 作用下， 生成 (R,S)-6-nitro-chroman-2-carboxylic acid methyl ester
  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。
• US7034051B2
  申请人：——

  公开号：US7034051B2

  公开（公告）日：2006-04-25
• [EN] FUSED BICYCLIC CARBOXAMIDE DERIVATIVES AND METHODS OF THEIR USE<br/>[FR] DERIVES DE CARBOXAMIDES BICYCLIQUES FUSIONNES ET LEURS PROCEDES D'UTILISATION
  申请人：ADOLOR CORP

  公开号：WO2005023799A1

  公开（公告）日：2005-03-17

  Fused bicyclic carboxamide derivatives of the general formula (I) are disclosed. Pharmaceutical compositions containing the compounds and methods for their use, inter alia, in treating and/or preventing pain, pruritus, and gastrointestinal disorders are also disclosed.
• Potent and highly selective kappa opioid receptor agonists incorporating chroman- and 2,3-dihydrobenzofuran-based constraints
  作者：Guo-Hua Chu、Minghua Gu、Joel A. Cassel、Serge Belanger、Thomas M. Graczyk、Robert N. DeHaven、Nathalie Conway-James、Mike Koblish、Patrick J. Little、Diane L. DeHaven-Hudkins、Roland E. Dolle

  DOI：10.1016/j.bmcl.2005.08.094

  日期：2005.12

  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.