ethyl 6-nitro-4-oxochromane-2-carboxylate | 377090-98-7

• 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: ethyl 6-nitro-4-oxochromane-2-carboxylate
• 英文别名: Ethyl 6-nitrochroman4-one-2-carboxylate；ethyl 6-nitro-4-oxo-2,3-dihydrochromene-2-carboxylate
• CAS: 377090-98-7
• 化学式: C₁₂H₁₁NO₆
• 分子量: 265.222
• InChiKey: QLFNFEWULWZHHN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  98.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  6-Nitrochroman-4-one-2-carboxylic acid 、 乙醇 在 乙醚 、 乙醇 、 盐酸 、 isopropanol-diethyl ether 作用下， 以 盐酸 为溶剂， 反应 24.0h， 以affording ethyl 6-nitrochroman4-one-2-carboxylate (about 4.4 g, 90% yield)的产率得到ethyl 6-nitro-4-oxochromane-2-carboxylate
  参考文献：
  名称：

  Chiral and achiral synthesis of 2-acyl substituted chromanes and their derivatives

  摘要：

  本发明涉及制备（2S）或（2R）4-氧代-2-基香豆素酰基化合物和香豆素酰基化合物、酯或酰胺以及它们的衍生物的方法。这些方法可以涉及手性合成或非手性合成，优选与分离程序相结合。这些化合物，特别是（2S）或（2R）乙酸酯，可用作生产血小板聚集抑制剂的中间体，或者它们本身就是强效的血小板聚集抑制剂。本发明还涉及制备这些纯度高的单一（2R）或（2S）对映体中间体的衍生物的方法，或者从这些所需对映体制备最终产品或盐的方法。

  公开号：

  US20040044225A1

文献信息

• Methods for producing chiral chromones, chromanes, amino substituted chromanes and intermediates therefor
  申请人：——

  公开号：US20040053992A1

  公开（公告）日：2004-03-18

  Disclosed are process steps and novel processes for producing chromane compositions enriched in at least one (2R or 2S) enantiomer, preferably chroman-2-yl carboxylic acid compounds and chroman-2-yl carboxylic acid esters which are intermediates for producing platelet aggregation inhibitors and/or are themselves potent platelet aggregation inhibitors. Further disclosed are enzymatic processes for resolving chiral intermediates or final products to provide desired enantiomers.

  揭示了生产富含至少一种(2R或2S)对映体的香豆素组合物的工艺步骤和新型工艺，优选为香豆素-2-基羧酸化合物和香豆素-2-基羧酸酯，它们是生产血小板聚集抑制剂的中间体和/或本身是有效的血小板聚集抑制剂。进一步揭示了用于解析手性中间体或最终产品以提供所需对映体的酶促过程。
• METHODS FOR PRODUCING CHIRAL CHROMONES, CHROMANES, AMINO SUBSTITUTED CHROMANES AND INTERMEDIATES THEREFOR
  申请人：MILLENIUM PHARMACEUTICALS, INC.

  公开号：EP1292589A2

  公开（公告）日：2003-03-19
• US6756403B2
  申请人：——

  公开号：US6756403B2

  公开（公告）日：2004-06-29
• [EN] CHIRAL AND ACHIRAL SYNTHESIS OF 2-ACYL SUBSTITUTED CHROMANES AND THEIR DERIVATIVES<br/>[FR] SYNTHESE CHIRALE ET ACHIRALE DE CHROMANES SUBSTITUES PAR 2-ACYLE ET LEURS DERIVES
  申请人：COR THERAPEUTICS INC

  公开号：WO2001092249A2

  公开（公告）日：2001-12-06

  Disclosed are processes for producing a (2S) or (2R) 4-oxo-chroman-2-yl acyl compounds and chroman-2-yl acyl compounds, esters or amides thereof as well as derivatives thereof. Such processes may involve chiral synthesis or achiral synthesis, preferably coupled with a resolution procedure. Such compounds, particularly (2S) or (2R) acetic acid esters, are useful intermediates for producing platelet aggregation inhibitors and/or are themselves potent platelet aggregation inhibitors. Further disclosed are processes for making derivatives of such substantially pure, or enhanced compositions of single (2R) or (2S) enantiomer intermediates or processes for producing final products or salts from such desired enantiomers.
• [EN] METHODS FOR PRODUCING CHIRAL CHROMONES, CHROMANES, AMINO SUBSTITUTED CHROMANES AND INTERMEDIATES THEREFOR<br/>[FR] PROCEDES DE PRODUCTION DE CHROMONES CHIRAUX, DE CHROMANES, ET DE CHROMANES AMINO SUBSTITUES ET LEURS INTERMEDIAIRES
  申请人：LILLY CO ELI

  公开号：WO2001094335A2

  公开（公告）日：2001-12-13

  Disclosed are process steps and novel processes for producing chromane compositions enriched in at least one (2R or 2S) enantiomer, preferably chroman-2-yl carboxylic acid compounds and chroman-2-yl carboxylic acid esters which are intermediates for producing platelet aggregation inhibitors and/or are themselves potent platelet aggregation inhibitors. Further disclosed are enzymatic processes for resolving chiral intermediates or final products to provide desired enantiomers.