2-氯-1-[4-(2-甲基丙基)苯基]乙酮 | 56374-25-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2-氯-1-[4-(2-甲基丙基)苯基]乙酮
• 英文名称: p-isobutyl phenacyl chloride
• 英文别名: 4-(isobutyl)phenacyl chloride；2-chloro-1-(4-isobutyl-phenyl)-ethanone；2-Chloro-1-[4-(2-methylpropyl)phenyl]ethan-1-one；2-chloro-1-[4-(2-methylpropyl)phenyl]ethanone
• CAS: 56374-25-5
• 化学式: C₁₂H₁₅ClO
• 分子量: 210.704
• InChiKey: JYGWKFINRSSRSG-UHFFFAOYSA-N

物化性质

• 沸点：
  309.3±25.0 °C(Predicted)
• 密度：
  1.061±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-氯-1-[4-(2-甲基丙基)苯基]乙酮 生成 羟基(4-异丁基苯基)乙酸
  参考文献：
  名称：

  摘要：

  DOI：
• 作为产物：
  描述：

  异丁基苯 、 氯乙酰氯 在 aluminum (III) chloride 、 bismuth(III) chloride 作用下， 以 二氯甲烷 为溶剂， 以87%的产率得到2-氯-1-[4-(2-甲基丙基)苯基]乙酮
  参考文献：
  名称：

  Bismuth Chloride Mediated Synthesis, Antimicrobial, and Anti-Inflammatory Activities of New 4-Aryl-2-Amino Thiazoles

  摘要：

  Synthesis of 4-aryl-2-Amino thiazoles (3a-u), (4a-c), and (5a-c) was achieved from the reaction of 4-butyl phenacyl chlorides (2a-c) with N-substituted thioureas, in the presence of Bismuth Chloride. The antimicrobial and anti-inflammatory activities of the final products were also studied.

  DOI：

  10.1080/10426500701842019

文献信息

• Media controlled photo-Favorskii type rearrangement of α-chloro acetophenones: Synthesis of phenylacetic acids
  作者：Dilip D. Dhavale、Vasant P. Mali、Surendra G. Sudrik、Harikisan R. Sonawane

  DOI：10.1016/s0040-4020(97)10081-3

  日期：1997.12

  Photolysis of substituted α-chloro acetophenones has been studied in different solvent systems wherein 1,2-aryl migration is found to be media controlled. Effect of substituents on the migratory aptitude and a direct access to phenylacetic acids, in practical yields, has been described.

  已经在不同的溶剂系统中研究了取代的α-氯乙酰苯的光解，其中发现1,2-芳基迁移受介质控制。已经描述了取代基对迁移能力和以实际产率直接获得苯乙酸的影响。
• Process for preparing .alpha.-hydroxy-acids and compounds obtained by
  申请人：Sanofi

  公开号：US04675419A1

  公开（公告）日：1987-06-23

  The invention relates to a process for preparing .alpha.-hydroxy-acids of general formula: ##STR1## in which R represents hydrogen or a lower alkyl radical and Cy represents a phenyl, naphthyl or heterocyclic radical, these latter three radicals optionally comprising one or more substituents selected from the group consisting of lower alkyl, lower alkenyl, lower alkynyl, lower alkoxy radicals and halogen atoms, process which comprises the treatment of an .alpha.-monohalogenated ketone of general formula: ##STR2## in which R and Cy have the same meaning as above and X represents chlorine, bromine or iodine, in the presence of an aqueous solution of an alkali metal hydroxide, a non-polar organic solvent selected from an aromatic or alicyclic hydrocarbon and oxygen in excess optionally in the presence of an inert gas, the treatment being carried out at a temperature ranging from the boiling temperature of the reaction medium at atmospheric pressure and 240.degree. C. under pressure and the alkali metal so formed is then acidified to obtain the desired acid.

  该发明涉及一种制备一般式为的α-羟基酸的方法：其中R代表氢或较低的烷基基团，Cy代表苯基、萘基或杂环基团，这三个后者基团可以包含一个或多个从下列基团中选择的取代基，即较低的烷基、较低的烯基、较低的炔基、较低的烷氧基团和卤素原子，所述方法包括在存在碱金属氢氧化物的水溶液、选择的芳香族或脂环烃非极性有机溶剂和过量氧气的条件下处理一般式为的α-单卤代酮：其中R和Cy的含义与上述相同，X代表氯、溴或碘，在温度范围内进行处理，该温度范围从大气压下反应介质的沸腾温度到240°C的压力下，然后将生成的碱金属酸化以获得所需的酸。
• Raju, P. V. K.; Adapa, Srinivas R., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1992, vol. 31, # 6, p. 363 - 365
  作者：Raju, P. V. K.、Adapa, Srinivas R.

  DOI：——

  日期：——
• Giridhar; Reddy; Prasanna, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2001, vol. 40, # 12, p. 1279 - 1281
  作者：Giridhar、Reddy、Prasanna、Chandra Mouli

  DOI：——

  日期：——
• ——
  作者：ANDRE J. -D.、 HEYMES A.、 GROSST P. J.、 VENERUCCI MANZAROLI G.

  DOI：——

  日期：——