3-氨基-2-氯苯甲酸乙酯 | 1261671-67-3

• 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: 3-氨基-2-氯苯甲酸乙酯
• 英文名称: ethyl 3-amino-2-chlorobenzoate
• CAS: 1261671-67-3
• 化学式: C₉H₁₀ClNO₂
• 分子量: 199.637
• InChiKey: PQYZWIXJWWAFSD-UHFFFAOYSA-N

物化性质

• 沸点：
  311.9±22.0 °C(Predicted)
• 密度：
  1.262±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  52.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-氨基-2-氯苯甲酸乙酯 在 吡啶 、 lithium aluminium tetrahydride 、 四(三苯基膦)钯 、 sodium carbonate 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 、 甲苯 为溶剂， 反应 12.0h， 生成 4'-bromo-biphenyl-4-sulfonic acid (3-hydroxymethyl-2-chloro-phenyl)-amide
  参考文献：
  名称：

  Development of triarylsulfonamides as novel anti-inflammatory agents

  摘要：

  Triaylsulfonamides were identified as novel anti-inflammatory agents, acting by inhibition of RANKL and TNF alpha signaling. Structure-activity studies led to the identification of compounds with in vitro potencies of <100 nM against J774 macrophages and osteoclasts, but with little activity against osteoblasts or hepatocytes (IC50 >50 mu M). A representative compound (4k, ABD455) was able to completely prevent inflammation in vivo in a prevention model and was highly effective at controlling inflammation in a treatment model. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.11.067
• 作为产物：
  描述：

  2-氯-3-硝基苯甲酸 在 N,N-二甲基甲酰胺 草酰氯 、 铁粉 、 溶剂黄146 作用下， 以 二氯甲烷 为溶剂， 反应 66.25h， 生成 3-氨基-2-氯苯甲酸乙酯
  参考文献：
  名称：

  [EN] HETEROARYL COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS
  [FR] COMPOSÉS ET COMPOSITIONS D'HÉTÉROARYLE EN TANT QU'INHIBITEURS DE PROTÉINE KINASES

  摘要：

  本发明提供了化合物的结构式(I)：其中R1、R2、R3和X如本文所定义。公式(I)的化合物及其药物组合物对癌症和B-Raf相关疾病的治疗具有用处。

  公开号：

  WO2011161216A1

文献信息

• HETEROARYL COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS
  申请人：Madera Ann Marie

  公开号：US20130096149A1

  公开（公告）日：2013-04-18

  The present invention provides compounds of Formula I: wherein R 1 , R 2 , R 3 , and X are as defined herein. The compounds of Formula (I) and pharmaceutical compositions thereof are useful for the treatment of cancer, and B-Raf-associated diseases.

  本发明提供了一种式子为I的化合物：其中R1、R2、R3和X如本文所定义。式(I)化合物及其制备的药物组合物可用于治疗癌症和B-Raf相关疾病。
• THERMOPLASTIC RESIN COMPOSITION, OPTICAL FILM, AND PROCESS FOR PRODUCING FILM
  申请人：JSR Corporation

  公开号：EP1837374A1

  公开（公告）日：2007-09-26

  The present invention is intended to provide a thermoplastic resin composition which is inhibited from suffering phase separation and from which an optical film having excellent transparency is readily obtained, an optical film containing the composition as a main component, a retardation film which is a film obtained by stretching the optical film and exhibits positive wavelength dependence and has a small coefficient of photoelasticity and transparency, and a process for producing the retardation film. The thermoplastic resin composition contains (A) a cycloolefin-based polymer and (B) a vinyl-based polymer having a unit represented by the following formula (II): wherein at least one of R1 to R4 is a group represented by the formula (III), the remainder of R1 to R4, if any, and R5 and R6 are each a hydrogen atom, a halogen atom, a (substituted) hydrocarbon group which may have a linkage containing a hetero atom, or a polar group, R5 and R6 may be bonded to each other to form a monocyclic or polycyclic group which may have a hetero atom, or may be united to form a divalent hydrocarbon group, and Y is a divalent hydrocarbon group.

  本发明旨在提供一种热塑性树脂组合物，该组合物能抑制相分离，并能很容易地从中获得透明度极佳的光学薄膜；一种含有该组合物作为主要成分的光学薄膜；一种通过拉伸该光学薄膜而获得的延缓膜，该膜具有正波长依赖性，并具有较小的光弹性系数和透明度；以及一种生产该延缓膜的工艺。热塑性树脂组合物包含 (A) 环烯烃基聚合物和 (B) 乙烯基聚合物，其单元由下式 (II) 表示： 其中 R1 至 R4 中至少有一个是式(III)所代表的基团，R1 至 R4 的其余部分(如果有)以及 R5 和 R6 各为氢原子、卤素原子、(取代的)烃基(该烃基可能具有含杂原子的连接)或极性基团，R5 和 R6 可相互键合形成单环或多环基团，该单环或多环基团可能具有杂原子，或可结合形成二价烃基，Y 为二价烃基。
• Thermoplastic Resin Composition, Optical Film, And Process For Producing Film
  申请人：Miyaki Nobuyuki

  公开号：US20080177002A1

  公开（公告）日：2008-07-24

  The present invention is intended to provide a thermoplastic resin composition which is inhibited from suffering phase separation and from which an optical film having excellent transparency is readily obtained, an optical film containing the composition as a main component, a retardation film which is a film obtained by stretching the optical film and exhibits positive wavelength dependence and has a small coefficient of photoelasticity and transparency, and a process for producing the retardation film. The thermoplastic resin composition contains (A) a cycloolefin-based polymer and (B) a vinyl-based polymer having a unit represented by the following formula (II): wherein at least one of R 1 to R 4 is a group represented by the formula (III), the remainder of R 1 to R 4 if any, and R 5 and R 6 are each a hydrogen atom, a halogen atom, a substituted) hydrocarbon group which may have a linkage containing a hetero atom, or a polar group, R 5 and R 6 may be bonded to each other to form a monocyclic or polycyclic group which may have a hetero atom, or may be united to form a divalent hydrocarbon group and Y is a divalent hydrocarbon group.
• US4104049A
  申请人：——

  公开号：US4104049A

  公开（公告）日：1978-08-01
• US4148805A
  申请人：——

  公开号：US4148805A

  公开（公告）日：1979-04-10