(9ci)-4-(氨基亚氨基甲基)-2-氟苯甲酸 | 324002-02-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: (9ci)-4-(氨基亚氨基甲基)-2-氟苯甲酸
• 中文别名: 环氧乙烷，3-(氯乙炔基)-2,2-二甲基-(9CI)
• 英文名称: 4-Carbamimidoyl-2-fluorobenzoic acid
• CAS: 324002-02-0
• 化学式: C₈H₇FN₂O₂
• 分子量: 182.15
• InChiKey: KDIIYJQRFVKANU-UHFFFAOYSA-N

物化性质

• 沸点：
  336.2±52.0 °C(Predicted)
• 密度：
  1.47±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  87.2
• 氢给体数：
  3
• 氢受体数：
  4

文献信息

• Method for resolving chiral (2s) and (2r) chromanes
  申请人：——

  公开号：US20040014994A1

  公开（公告）日：2004-01-22

  Disclosed are processes for resolving chiral (2S) and (2R) benzopyrans, racemizing benzopyrans, and recycling racemized benzopyrans to increase yield of a desired enantiomer to provide purified or substantially purified bicyclic amino substituted benzopyran derivatives. Such benzopyran derivatives are preferably chromans which can be coupled with benzoyl derivatives via an amide bond to produce potent platelet aggregation inhibitors.

  公开了用于解决手性（2S）和（2R）苯并吡喃、使苯并吡喃消旋以及回收消旋苯并吡喃的方法，以提高所需对映体的产量，从而提供纯化或基本纯化的双环氨基取代苯并吡喃衍生物。这些苯并吡喃衍生物最好是色苷，可以通过酰苯衍生物通过酰胺键耦合，生产出强效的血小板聚集抑制剂。
• PROCESS FOR THE PREPARATION OF BENZOYL SUBSTITUTED BICYLIC COMPOUNDS AND CHIRAL BNEZOPYRAN DERIVATIVES
  申请人：Eli Lilly & Company

  公开号：EP1286982A2

  公开（公告）日：2003-03-05
• METHODS FOR RESOLVING CHIRAL (2S) AND (2R) CHROMANES
  申请人：Eli Lilly & Company

  公开号：EP1292588A1

  公开（公告）日：2003-03-19
• [EN] METHODS FOR COUPLING BENZOYL COMPOUNDS AND AMINO SUBSTITUTED BICYCLIC DERIVATIVES AND ENANTIOMERICALLY PURE OR ENRICHED COMPOSITIONS MADE THEREFROM<br/>[FR] PROCEDES DE COUPLAGE DE COMPOSES DE BENZOYLE ET DE DERIVES BICYCLIQUES AMINO SUBSTITUES, ET COMPOSITIONS ENANTIOMERIQUEMENT PURES OU ENRICHIES EN ETANT FAITES
  申请人：LILLY CO ELI

  公开号：WO2001094333A2

  公开（公告）日：2001-12-13

  Disclosed are processes for coupling amino substituted 2-chromanyl derivatives and benzoyl derivatives via an amide bond, and intermediates for producing platelet aggregation inhibitors and for producing potent platelet aggregation inhibitors. Also disclosed are processes for producing such compounds from chiral intermediates to provide desired enantiomers, and methods for using the compounds as platelet aggregation inhibitors.
• [EN] METHODS FOR RESOLVING CHIRAL (2S) AND (2R) CHROMANES<br/>[FR] METHODES DE SEPARATION DE CHROMANES CHIRAUX (2S) ET (2R)
  申请人：LILLY CO ELI

  公开号：WO2001094334A1

  公开（公告）日：2001-12-13

  Disclosed are processes for resolving chiral (2S) and (2R) benzopyrans, racemizing benzopyrans, and recycling racemized benzopyrans to increase yield of a desired enantiomer to provide purified or substantially purified bicyclic amino substituted benzopyran derivatives. Such benzopyran derivatives are preferably chromans which can be coupled with benzoyl derivatives via an amide bond to produce potent platelet aggregation inhibitors.