6-acetamido-2-cyanomethylchromane | 377091-15-1

• 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: 6-acetamido-2-cyanomethylchromane
• 英文别名: N-[2-(cyanomethyl)-3,4-dihydro-2H-chromen-6-yl]acetamide
• CAS: 377091-15-1
• 化学式: C₁₃H₁₄N₂O₂
• 分子量: 230.266
• InChiKey: CJTFASBNGCVDKB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  62.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-acetamido-2-cyanomethylchromane 、 乙醇 在 盐酸 作用下， 以 水 为溶剂， 反应 6.0h， 以80%的产率得到ethyl 2-(6-aminochroman-2-yl)acetate hydrochloride
  参考文献：
  名称：

  Synthesis of 2-Acyl substituted chromanes and intermediates thereof

  摘要：

  本发明揭示了用于生产富含对映体和对映纯2-酰基取代基色酮化合物的新工艺，以及用于生产血小板聚集抑制剂的中间体2-酰基色酮化合物和/或它们本身是有效的血小板聚集抑制剂的工艺。还揭示了用于生产酸盐等对这些富含对映体的成分的工艺。

  公开号：

  US20030233002A1
• 作为产物：
  描述：

  以 二甲基亚砜 为溶剂， 反应 1.5h， 生成 6-acetamido-2-cyanomethylchromane
  参考文献：
  名称：

  Synthesis of 2-Acyl substituted chromanes and intermediates thereof

  摘要：

  本发明揭示了用于生产富含对映体和对映纯2-酰基取代基色酮化合物的新工艺，以及用于生产血小板聚集抑制剂的中间体2-酰基色酮化合物和/或它们本身是有效的血小板聚集抑制剂的工艺。还揭示了用于生产酸盐等对这些富含对映体的成分的工艺。

  公开号：

  US20030233002A1

文献信息

• Chiral and achiral synthesis of 2-acyl substituted chromanes and their derivatives
  申请人：——

  公开号：US20040044225A1

  公开（公告）日：2004-03-04

  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 intermedates 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.

  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。
• Synthesis of 2-acyl substituted chromanes and intermediates thereof
  申请人：Kanter James

  公开号：US06903227B2

  公开（公告）日：2005-06-07

  Novel processes for producing enantiomerically enriched and enantiomerically pure compositions of 2-acyl substituted chromane compounds, and 2-acylchromane compounds that are intermediates for producing platelet aggregation inhibitors and/or are themselves potent platelet aggregation inhibitors are disclosed. Further disclosed are processes for producing salts such as acid addition salts for such enantiomerically enriched compositions.

  本发明揭示了用于生产对映富集和对映纯的2-酰基取代的色满类化合物和2-酰基色满化合物的新工艺，这些化合物是用于生产血小板聚集抑制剂和/或本身是有效的血小板聚集抑制剂的中间体。进一步揭示了用于生产这种对映富集化合物的盐，例如酸加成盐的工艺。
• US6903227B2
  申请人：——

  公开号：US6903227B2

  公开（公告）日：2005-06-07
• [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] SYNTHESIS OF 2-ACYL SUBSTITUTED CHROMANES AND INTERMEDIATES THEREOF<br/>[FR] SYNTHESE DE CHROMANES A SUBSTITUTION 2-ACYLE ET DES INTERMEDIAIRES DE CEUX-CI
  申请人：COR THERAPEUTICS INC

  公开号：WO2001092250A2

  公开（公告）日：2001-12-06

  Novel processes for producing enantiomerically enriched and enantiomerically pure compositions of 2-acyl substituted chromane compounds, and 2-acylchromane compounds that are intermediates for producing platelet aggregation inhibitors and/or are themselves potent platelet aggregation inhibitors are disclosed. Further disclosed are processes for producing salts such as acid addition salts for such enantiomerically enriched compositions.