6,8-difluoro-2H-chromene-3-carboxylic acid | 1151797-97-5

• 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: 6,8-difluoro-2H-chromene-3-carboxylic acid
• CAS: 1151797-97-5
• 化学式: C₁₀H₆F₂O₃
• 分子量: 212.153
• InChiKey: NCHYUHWVHRTWIC-UHFFFAOYSA-N

物化性质

• 沸点：
  322.2±42.0 °C(Predicted)
• 密度：
  1.523±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  6,8-difluoro-2H-chromene-3-carboxylic acid 在 叠氮磷酸二苯酯 、 三乙胺 作用下， 以 丙酮 为溶剂， 生成 6,8-difluoro-2H-chromene-3-carbonyl azide
  参考文献：
  名称：

  [EN] PROCESS FOR THE PREPARATION OF 2H-CHROMENE-3-CARBAMATE DERIVATIVES
  [FR] PROCÉDÉ

  摘要：

  公开号：

  WO2009064210A3
• 作为产物：
  描述：

  6,8-difluoro-2H-chromene-3-carbonitrile 在 sodium hydroxide 、 盐酸 作用下， 以 水 为溶剂， 反应 1.0h， 生成 6,8-difluoro-2H-chromene-3-carboxylic acid
  参考文献：
  名称：

  [EN] PROCESS FOR THE PREPARATION OF 2H-CHROMENE-3-CARBAMATE DERIVATIVES
  [FR] PROCÉDÉ

  摘要：

  公开号：

  WO2009064210A3

文献信息

• Process for the Preparation of 2H-Chromene-3-Carbamate Derivatives
  申请人：Broadbelt Brian

  公开号：US20100298580A1

  公开（公告）日：2010-11-25

  Compounds of formula I, V, VI and II, and processes for their preparation, wherein R 1 , R 2 and R 3 are the same or different and signify hydrogens, halogens, alkyl, alkyloxy, hydroxy, nitro, alkylcarbonylamino, alkylamino or dialkylamino group; and R 4 is alkyl or aryl. There is also provided a process for preparing a compound of formula B from the compounds of formula V and I.

  公式I、V、VI和II的化合物及其制备方法，其中R1、R2和R3相同或不同，表示氢、卤素、烷基、烷氧基、羟基、硝基、烷基羰基氨基、烷基氨基或二烷基氨基基团; 而R4是烷基或芳基。还提供了一种从公式V和I的化合物制备公式B化合物的方法。
• PROCESS FOR THE PREPARATION OF 2H-CHROMENE-3-CARBAMATE DERIVATIVES
  申请人：BIAL - Portela & Ca., S.A.

  公开号：EP2217585A2

  公开（公告）日：2010-08-18
• [EN] PROCESS<br/>[FR] PROCÉDÉ
  申请人：BIAL PORTELA & CA SA

  公开号：WO2009064210A2

  公开（公告）日：2009-05-22

  Compounds of formula I, V, VI and II, and processes for their preparation, wherein R1, R2 and R3 are the same or different and signify hydrogens, halogens, alkyl, alkyloxy, hydroxy, nitro, alkylcarbonylamino, alkylamino or dialkylamino group; and R4 is alkyl or aryl. There is also provided a process for preparing a compound of formula B from the compounds of formula V and I.
• [EN] PROCESS FOR THE PREPARATION OF 2H-CHROMENE-3-CARBAMATE DERIVATIVES<br/>[FR] PROCÉDÉ
  申请人：BIAL PORTELA & CA SA

  公开号：WO2009064210A3

  公开（公告）日：2009-12-30
• Process Research for Multikilogram Production of Etamicastat: A Novel Dopamine β-Hydroxylase Inhibitor
  作者：Alexandre Beliaev、Jorge Wahnon、Domenico Russo

  DOI：10.1021/op300012d

  日期：2012.4.20

  In order to develop a manufacturing route to etamicastat, three synthetic approaches to the pivotal chiral 3-aminochroman intermediate have been studied as well as four methods for the construction of the 2-aminoethyl imidazolethione fragment. The evolution of the synthetic strategy based on the early discovery route was described. By focusing on the use of readily available starting materials it was possible to avoid chromatography steps and expensive reagents, bringing about significant improvements in cost and throughput. The best route involves construction of the chiral centre by asymmetric hydrogenation.