Chloralide of malic acid | 5050-56-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: Chloralide of malic acid
• 英文别名: (5-oxo-2-trichloromethyl-[1,3]dioxolan-4-yl)-acetic acid；(5-Oxo-2-trichlormethyl-[1,3]dioxolan-4-yl)-essigsaeure；5-Carboxymethyl-2-trichlormethyl-1,3-dioxolan-4-on；5-Methylcarboxy-2-trichlormethyl-1.3-dioxolan-4-on；Aepfelsaeurechloralid；1,3-Dioxolane-4-acetic acid, 5-oxo-2-(trichloromethyl)-；2-[5-oxo-2-(trichloromethyl)-1,3-dioxolan-4-yl]acetic acid
• CAS: 5050-56-6
• 化学式: C₆H₅Cl₃O₅
• 分子量: 263.462
• InChiKey: IVSTXFYJHXMXFM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  72.8
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 海关编码：
  2932999099

反应信息

• 作为反应物：
  描述：

  Chloralide of malic acid 在 氯化亚砜 作用下， 反应 4.0h， 生成 (5-oxo-2-trichloromethyl-[1,3]dioxolan-4-yl)-acetyl chloride
  参考文献：
  名称：

  Convenient Synthesis ofN-Aryl-2-hydroxysuccinimides and Characterization of Their Hydrolysis Products

  摘要：

  苹果酸的酰氯可用于合成 N-芳基-2-羟基琥珀酰亚胺，并对其水解产物进行表征。

  DOI：

  10.1055/s-1989-27415
• 作为产物：
  描述：

  水合氯醛 、 苹果酸 在 硫酸 作用下， 以96%的产率得到Chloralide of malic acid
  参考文献：
  名称：

  Convenient Synthesis ofN-Aryl-2-hydroxysuccinimides and Characterization of Their Hydrolysis Products

  摘要：

  苹果酸的酰氯可用于合成 N-芳基-2-羟基琥珀酰亚胺，并对其水解产物进行表征。

  DOI：

  10.1055/s-1989-27415

文献信息

• Studies on Hepatic Agents. I. Synthesis of Aminoacyl (and Hydroxyacyl) Aminoacetonitriles
  作者：SEIGO SUZUE、TUTOMU IRIKURA

  DOI：10.1248/cpb.16.1417

  日期：——

  For the purpose of elucidating the structural relationship between lathyrism and inhibition of necrosis induced by CCl4 in the liver of the rat, many compounds related to aminoacetonitrile were synthesized. N-Aminoacylaminoacetonitriles (VIII, XIV) were synthesized from phthaloylaminoacylaminoacetonitriles. VIII were converted to 2-hydroxyimino-5-oxopiperazine derivatives (XV) and 5-oxo-2-thio-piperazines (XX). Preparations of N-(N-acylaminoacyl) aminoacetonitriles were also described. Further, N-α-hydroxyacylaminoacetonitriles were prepared from chloralides of α-hydroxyacids with aminoacetonitrile. In addition, XV (R=H) was converted to 2-acetamino-5-acetoxypyrazine by treatment with acetic anhydride.

  为了阐明贻贝症与四氯化碳诱导的大鼠肝脏坏死抑制之间的结构关系，合成了许多与氨基乙腈相关的化合物。N-氨基酰氨基乙腈（VIII，XIV）是从邻苯二甲酰氨基酰氨基乙腈合成的。VIII被转化为2-羟基亚胺-5-氧杂哌嗪衍生物（XV）和5-氧-2-硫杂哌嗪（XX）。还描述了N-(N-酰氨基酰)氨基乙腈的制备。此外，N-α-羟基酰氨基乙腈是由α-羟基酸的氯化物与氨基乙腈反应制备的。此外，通过用醋酸无水物处理，XV（R=H）被转化为2-乙酰氨基-5-乙酰氧基吡唑。
• Practical synthesis of mumefural, a component of Japanese apricot juice concentrate
  作者：Hideyuki Sugimura、Mao Kikuchi、Saori Kato、Wataru Sekita、Ikuo Sasaki

  DOI：10.1016/j.tet.2016.10.026

  日期：2016.11

  four-step method for the synthesis of mumefural from malic acid is described. The key step of this method involves the alkylation of acetal-protected malic acid with bromoacetate, followed by condensation with 5-(hydroxymethyl)furfural. Some of the 13C NMR data for our products differed from those previously reported, and further analysis indicated that the previously reported assignments were partly erroneous

  描述了一种从苹果酸合成糠醛的实用的四步法。该方法的关键步骤包括将乙缩醛保护的苹果酸与溴乙酸烷基化，然后与5-（羟甲基）糠醛缩合。我们产品的某些13 C NMR数据与先前报道的有所不同，进一步的分析表明，先前报道的指配在某种程度上是错误的。
• SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, PHARMACEUITCAL COMPOSITIONS COMPRISING THEM AND THERAPEUTIC METHODS FOR THEIR USE
  申请人：HEINELT Uwe

  公开号：US20080058328A1

  公开（公告）日：2008-03-06

  The invention relates to substituted 4-phenyltetrahydroisoquinolines of formula I wherein R1-R8, N, W, X and Z are defined herein. These compounds and pharmaceutical compositions comprising them are useful in the treatment of respiratory disorders, sleep apnea, kidney disorders, high blood pressure, hypertension, disorders of the central nervous system and the like.

  该发明涉及公式I中的取代的4-苯基四氢异喹啉，其中R1-R8，N，W，X和Z在此定义。这些化合物和包括它们的药物组成物在治疗呼吸系统疾病、睡眠呼吸暂停、肾脏疾病、高血压、中枢神经系统疾病等方面是有用的。
• Wallach, Justus Liebigs Annalen der Chemie, 1878, vol. 193, p. 38
  作者：Wallach

  DOI：——

  日期：——
• Yorston, Recueil des Travaux Chimiques des Pays-Bas, 1927, vol. 46, p. 713
  作者：Yorston

  DOI：——

  日期：——