2-氯-1-(5,6,7,8-四氢萘-2-基)乙酮 | 5803-67-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 中文名称: 2-氯-1-(5,6,7,8-四氢萘-2-基)乙酮
• 英文名称: 1,2,3,4-Tetrahydro-7-chloracetylnaphthalin
• 英文别名: 6-Chloracetyl-1,2,3,4-tetrahydro-naphthalin；2-chloro-1-(5,6,7,8-tetrahydro-naphthalen-2-yl)-ethanone；2-chloro-1-(5,6,7,8-tetrahydro-[2]naphthyl)-ethanone；2-Chlor-1-(5,6,7,8-tetrahydro-[2]naphthyl)-aethanon；6-chloroacetyl-1,2,3,4-tetrahydro naphthalene；Chlormethyl-tetralyl-(6)-keton；6-Chloracetyl-tetralin；2-Chloro-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
• CAS: 5803-67-8
• 化学式: C₁₂H₁₃ClO
• mdl: MFCD06149917
• 分子量: 208.688
• InChiKey: YPJVCMUNCFFQKH-UHFFFAOYSA-N

物化性质

• 熔点：
  64-65 °C
• 沸点：
  354.6±37.0 °C(Predicted)
• 密度：
  1.164±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.416
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2914700090

反应信息

• 作为反应物：
  描述：

  2-氯-1-(5,6,7,8-四氢萘-2-基)乙酮 在 盐酸 、 amalgamated zinc 、 五氯化磷 作用下， 130.0~290.0 ℃ 、1.73 kPa 条件下， 生成 均苯四甲酸二酐
  参考文献：
  名称：

  Schroeter, Chemische Berichte, 1924, vol. 57, p. 2014

  摘要：

  DOI：
• 作为产物：
  描述：

  1,2,3,4-四氢萘 在 二硫化碳 、 三氯化铝 、 氯 作用下， 生成 2-氯-1-(5,6,7,8-四氢萘-2-基)乙酮
  参考文献：
  名称：

  Rabcewicz-Zubkowski, Roczniki Chemii, 1934, vol. 14, p. 160,162, 163

  摘要：

  DOI：

文献信息

• A novel coupling reaction of α-halo ketones promoted by SmI₃/CuI
  作者：Yongjun Liu、Hengmin Zhao、Guang Tian、Feng Du、Yan Qi、Yonghong Wen

  DOI：10.1039/c5ra26604a

  日期：——

  With SmI3 as the Lewis acid and catalyzed by CuI in DMF, α-haloketones were transformed unexpectedly into α-hydroxy-1,4-diketones in good to moderate yields. The mechanism was probed and a plausible reaction pathway was proposed. DMF was assumed to play a dual role both as a hydroxyl source and as a solvent.

  以SmI 3作为路易斯酸并在DMF中被CuI催化，α-卤代酯意外地转化为α-羟基-1,4-二酮，产率中等至中等。探讨了该机制，并提出了合理的反应途径。假定DMF既起着羟基源的作用又起着溶剂的双重作用。
• N-(4-Substituted-thiazolyl)oxamic acid derivatives, new series of potent, orally active antiallergy agents
  作者：Karl D. Hargrave、Friedrich K. Hess、James T. Oliver

  DOI：10.1021/jm00362a014

  日期：1983.8

  showed a 50% inhibition at less than 2 mg/kg po or less than 0.4 mg/kg iv and were significantly more potent than disodium cromoglycate, which in the rat PCA model is orally inactive and gives a 50% inhibition at 1.2 mg/kg iv. Hydrolysis of the oxamates generally resulted in enhanced activities, while substitution of the phenyl ring with a variety of substituents (e.g., 4-F, 4-OEt, and 4-NHCOCH3) did

  合成了一系列的N-（4-取代的噻唑基）草酰胺酸衍生物，并在大鼠PCA模型中测试了其抗过敏活性。这些化合物可通过用硫脲和碘处理适当的苯乙酮或使氯乙酰苯与硫脲反应生成相应的氨基噻唑来方便地制备。随后与乙二酰氯缩合，得到噻唑基草酸酯。许多类似物在低于2 mg / kg po或低于0.4 mg / kg iv时显示出50％的抑制作用，并且比色甘酸二钠显着更有效，后者在大鼠PCA模型中是口服失活的，并在50％时抑制。 1.2 mg / kg iv。草酸盐的水解通常会增强活性，而苯环则被各种取代基（例如4-F，4-OEt，和4-NHCOCH 3）没有显着增强未取代苯基衍生物的活性。已选择一种乙醇胺盐，N- [4-（1,4-苯并二恶烷-6-基）-2-噻唑基]乙酰胺酸乙醇胺盐（61，PRH-836-EA）进行进一步的药理评估。
• Heterocyclic compounds
  申请人：John Wyeth & Brother Limited

  公开号：US03992389A1

  公开（公告）日：1976-11-16

  A group of heterocyclic compounds useful in the treatment of disorders and diseases of the cardiovascular system and/or in the treatment of superficial and deep allergic phenomena is described. These compounds are piperidine compounds linked by the nitrogen atom to a substituted or unsubstituted phenyl radical through the intermediary of a group selected from a lower-alkylene radical, a mono-keto lower alkylene radical or a hydroxy-lower-alkylene radical, or a bivalent radical of the formula ##EQU1## or --O--(lower-alkylene)-. The piperidine rings are further substituted by a benzamido, substituted benzamido or cyclohexylcarboxamido residue.

  描述了一组在治疗心血管系统疾病和过敏现象方面有用的杂环化合物。这些化合物是通过氮原子与一个取代或未取代苯基通过选择自低烷基基团、单酮基低烷基基团或羟基-低烷基基团、或者公式##EQU1##的双价基团或--O--(低烷基)-连接的哌啶化合物。哌啶环进一步取代为苯甲酰胺基、取代苯甲酰胺基或环己基羧酰胺基残基。
• Pharmaceutical compositions and methods of treating hypertension
  申请人：John Wyeth & Brother Limited

  公开号：US04029801A1

  公开（公告）日：1977-06-14

  Pharmaceutical compositions containing a group of heterocyclic compounds and their use in treatment of disorders and diseases of the cardiovascular system and/or in the treatment of superficial and deep allergic phenomena is described. These compounds used in the composition and/or methods are piperidine compounds linked by the nitrogen atom to a substituted or unsubstituted cycloalkyl, aryl or heterocyclic radical through the intermediary of a group selected from a lower-alkylene radical, a monoketo lower-alkylene radical or a hydroxy-lower-alkylene radical, or a bivalent radical of the formula --NH.CO.(CH.sub.2).sub.n -- where n is 1, 2 or 3, ##STR1## or --0-(lower-alkylene)--. The piperidine ring is further substituted by an acylamino residue.

  本文描述了含有一组杂环化合物的制药组合物，以及它们在治疗心血管系统的疾病和障碍和/或治疗浅表和深部过敏现象中的用途。这些化合物在组合物和/或方法中使用，是通过从下列选项中选择的基团，将哌啶化合物与取代或未取代的环烷基、芳基或杂环基连接起来的：低烷基基团、单酮低烷基基团或羟基低烷基基团，或者是公式--NH.CO.（CH.sub.2）.sub.n --，其中n为1、2或3，##STR1##或--0-(低烷基)--。哌啶环进一步被酰胺残基取代。
• INHIBITORS OF VIRAL REPLICATION, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES
  申请人：Chasset Sophie

  公开号：US20140128383A1

  公开（公告）日：2014-05-08

  The present invention relates to compounds, their use in the treatment or the prevention of viral disorders, including HIV.

  本发明涉及化合物及其在治疗或预防病毒性疾病，包括HIV方面的应用。