4,5-dihydro-3-carboxylic acid chloride | 117943-06-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氢呋喃
• 英文名称: 4,5-dihydro-3-carboxylic acid chloride
• 英文别名: 4,5-dihydro-furan-3-carbonyl chloride；4,5-Dihydrofuran-3-carbonyl chloride；2,3-dihydrofuran-4-carbonyl chloride
• CAS: 117943-06-3
• 化学式: C₅H₅ClO₂
• 分子量: 132.546
• InChiKey: HSJYOMISMAWXFE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  8
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4,5-dihydro-3-carboxylic acid chloride 在 sodium hydroxide 作用下， 生成 4,5-二氢呋喃-3-甲酸
  参考文献：
  名称：

  Process for producing vinyl ether derivatives

  摘要：

  公开号：

  US02768174A1
• 作为产物：
  描述：

  2,3-二氢-4-糠酸甲酯 在 氢氧化钾 、 氯化亚砜 、 Petroleum ether 作用下， 生成 4,5-dihydro-3-carboxylic acid chloride
  参考文献：
  名称：

  Korte; Machleidt, Chemische Berichte, 1955, vol. 88, p. 1676,1679

  摘要：

  DOI：

文献信息

• Synthesis of hydroxyl-containing oxindoles and 3,4-dihydroquinolin-2-ones through oxone-mediated cascade arylhydroxylation of activated alkenes
  作者：Ming-Zhong Zhang、Long Liu、Quan Gou、Qi Wang、Yi Li、Wan-Ting Li、Fei Luo、Min Yuan、Tieqiao Chen、Wei-Min He

  DOI：10.1039/d0gc02205e

  日期：——

  Hydroxyl-containing compounds are highly value-added organic molecules, and the establishment of novel methodologies for their elaboration is a long-standing challenge in organic synthesis. Here the first oxone-mediated direct arylhydroxylation of activated alkenes was developed for the synthesis of valuable hydroxyl-containing oxindoles and 3,4-dihydroquinolin-2-ones. The products were controlled

  含羟基的化合物是高附加值的有机分子，建立新颖的加工方法是有机合成中的长期挑战。在这里，首次环氧酮介导的活化烯烃的直接芳基羟基化反应被用于合成有价值的含羟基的吲哚和3,4-二氢喹啉-2-酮。通过调节起始烯烃的结构来控制产物。而且，反应在没有任何外部添加剂或催化剂的简单条件下进行。初步的机理研究表明，该反应是一个串联过程，涉及环氧化反应和随后的Friedel-Crafts烷基化反应，并且在此过程中，oxone起着双重作用（氧化剂和质子源）。
• Mass spectral fragmentation pattern of 3-(2′-hydroxyethyl)quinolin-2(1H)-one and its derivatives
  作者：S. P. Rajendran、P. Shanmugam

  DOI：10.1002/oms.1210270213

  日期：1992.2

  AbstractFragmentation patterns resulting from electron impact ionization of 3‐(2′‐hydroxyethyl)quinolin‐2(1H)‐one, three of its monosubstituted derivatives and four of its disubstituted derivatives were studied. The molecular ion of quinolinone‐2‐etbanol undergoes initial fragmentation with the loss of OH·, H2O, CO, ·CHO, CH2O, CH2OH·, CH2CHOH and HCNO species. The [M – CHO]+ ion is tentatively suggested to have been formed by the expulsion of H· from the [M – CO]+· ion and the [M ‐ CHO]+ peak may be considered as diagnostic of a 2‐quinolone‐3‐ethanol.
• Rajendran, S.P.; Shanmugam, P., Journal of the Indian Chemical Society, 1993, vol. 70, # 10, p. 815 - 818
  作者：Rajendran, S.P.、Shanmugam, P.

  DOI：——

  日期：——
• Synthesis and structure–activity relationships of novel poly(ADP-ribose) polymerase-1 inhibitors
  作者：Ming Tao、Chung Ho Park、Ron Bihovsky、Gregory J. Wells、Jean Husten、Mark A. Ator、Robert L. Hudkins

  DOI：10.1016/j.bmcl.2005.10.099

  日期：2006.2

  A series of novel pyrrolocarbazoles was synthesized as potential PARP-1 inhibitors. Pyrrolocarbazole 1 was identified as a potent PARP-I inhibitor (IC50 = 36 nM) from our internal database. Synthesis of analogs around this template with the aid of modeling studies led to the identification of the truncated imide 14. Compound 14 (IC50 = 40 nM), with deleted B-ring, was found to be an equipotent PARP-1 inhibitor. (c) 2005 Elsevier Ltd. All rights reserved.
• Rajendran, S. P.; Shanmugam, P., Journal of the Indian Chemical Society, 1994, vol. 71, # 5, p. 285 - 288
  作者：Rajendran, S. P.、Shanmugam, P.

  DOI：——

  日期：——