4-acetoxy-2-chlorobenzaldehyde | 114416-77-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: 4-acetoxy-2-chlorobenzaldehyde
• 英文别名: acetic acid 3-chloro-4-formyl-phenyl ester；4-acetoxy-2-chloro-benzaldehyde；4-Acetoxy-2-chlor-benzaldehyd；Benzaldehyde, 4-(acetyloxy)-2-chloro-；(3-chloro-4-formylphenyl) acetate
• CAS: 114416-77-2
• 化学式: C₉H₇ClO₃
• 分子量: 198.606
• InChiKey: NMHJUSHFEASIKJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-acetoxy-2-chlorobenzaldehyde 在 水 、 碳酸氢钠 、 1-羟基苯并三唑 、 caesium carbonate 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 、 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 乙腈 为溶剂， 反应 63.0h， 生成 3-(2-chloro-4-isobutoxy-phenyl)-N-(tetrahydropyran-2-yloxy)-acrylamide
  参考文献：
  名称：

  Reexamining hydroxamate inhibitors of botulinum neurotoxin serotype A: Extending towards the β-exosite

  摘要：

  Botulinum neurotoxins (BoNTs) are the most toxic proteins known to man, exposure to which results in flaccid paralysis. Given their extreme potency, these proteins have become studied as possible weapons of bioterrorism; however, effective treatments that function after intoxication have not progressed to the clinic. Here, we have reexamined one of the most effective inhibitors, 2,4-dichlorocinnamyl hydroxamate, in the context of the known plasticity of the BoNT/A light chain metalloprotease. Our studies have shown that modifications of this compound are tolerated and result in improved inhibitors, with the best compound having an IC50 of 0.23 mu M. Given the inconsistency of structure-activity relationship trends observed across similar compounds, this data argues for caution in extrapolating across structural series (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.04.019
• 作为产物：
  描述：

  2-氯-4-羟基苯甲醛 在 吡啶 、 乙酸酐 作用下， 以 二氯甲烷 为溶剂， 以96%的产率得到4-acetoxy-2-chlorobenzaldehyde
  参考文献：
  名称：

  Induction of apoptosis in cancer cells

  摘要：

  本发明提供了诱导或抑制凋亡或在细胞周期停滞之前发生的凋亡的化合物。此外，本发明提供了用于治疗患有白血病或其他形式癌症的哺乳动物或治疗由细胞凋亡引起的疾病状况的药物组合物和方法。

  公开号：

  US20030176506A1

文献信息

• Fluorine free photopatternable phenol functional group containing polymer compositions
  申请人：PROMERUS, LLC

  公开号：US10054854B2

  公开（公告）日：2018-08-21

  Various polycycloolefinic polymers containing phenolic pendent groups and compositions thereof useful for forming self-imageable films encompassing such polymers are disclosed. Such polymers encompass norbornene-type repeating units containing phenolic pendent groups which contain very low levels of fluorine containing monomers. The films formed from such polymer compositions provide self imageable, low-k, thermally stable layers for use in microelectronic and optoelectronic devices.

  本发明公开了各种含酚醛悬垂基团的聚环烯烃聚合物及其用于形成包含此类聚合物的自成像薄膜的组合物。此类聚合物包含降冰片烯类重复单元，其中含有含氟单体含量极低的酚醛悬垂基团。由此类聚合物组合物形成的薄膜具有自成像、低 K 值、热稳定的特性，可用于微电子和光电设备。
• PHARMACEUTICALLY ACTIVE DIKETOPIPERAZINES
  申请人：XENOVA LIMITED

  公开号：EP0655060A1

  公开（公告）日：1995-05-31
• INDUCTION OF APOPTOSIS IN CANCER CELLS
  申请人：The Burnham Institute

  公开号：EP1456165A1

  公开（公告）日：2004-09-15
• FILM-FORMING POLYMER AND ANTIFOULING PAINT
  申请人：Jotun A/S

  公开号：EP1487928B1

  公开（公告）日：2008-08-13
• FLUORINE FREE PHOTOPATTERNABLE PHENOL FUNCTIONAL GROUP CONTAINING POLYMER COMPOSITIONS
  申请人：PROMERUS, LLC

  公开号：US20180329299A1

  公开（公告）日：2018-11-15

  Various polycycloolefinic polymers containing phenolic pendent groups and compositions thereof useful for forming self-imageable films encompassing such polymers are disclosed. Such polymers encompass norbornene-type repeating units containing phenolic pendent groups which contain very low levels of fluorine containing monomers. The films formed from such polymer compositions provide self imageable, low-k, thermally stable layers for use in microelectronic and optoelectronic devices.