4-氯环己酮 | 21299-26-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 4-氯环己酮
• 英文名称: 4-chlorocyclohexanone
• 英文别名: 4-chloro-cyclohexanone；4-Chlor-cyclohexanon；4-Chlor-cyclohexanon-(1)；4-Chlor-cyclohexan-1-on；4-Chloro-cyclohexanon；4-Chlorocyclohexanon；4-chlorocyclohexan-1-one
• CAS: 21299-26-3
• 化学式: C₆H₉ClO
• 分子量: 132.59
• InChiKey: BUBAVJLZSWOEBV-UHFFFAOYSA-N

物化性质

• 沸点：
  173.38°C (rough estimate)
• 密度：
  1.0461 (rough estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 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：

  4-氯环己酮 在 L-阿拉伯糖 作用下， 反应 24.0h， 生成 5-chlorooxepan-2-one
  参考文献：
  名称：

  自给自足的Baeyer-Villiger单加氧酶：通过融合工程进行生物加氧的有效辅酶再生。

  摘要：

  DOI：

  10.1002/anie.200704630
• 作为产物：
  描述：

  双环[3,1.0]2-己酮 在 吡啶盐酸盐 作用下， 以 乙腈 为溶剂， 生成 4-氯环己酮
  参考文献：
  名称：

  Synthesis of γ-Chloro (β-Chloromethyl) Ketones from α-Cyclopropyl Ketones

  摘要：

  DOI：

  10.1055/s-1978-24718

文献信息

• Synthesis of some novel steroidal 1,2,4,5-tetraoxanes
  作者：Archana M. Das、Manash P. Hazarika

  DOI：10.1039/c5ra00169b

  日期：——

  A facile synthesis of A-ring manipulated C-20 methyl carboxylate steroid derivative with unsymmetrical dispiro 1,2,4,5-tetraoxanes has been focused herein via acid catalyzed cyclocondensation of bis-epidioxy ketone. Novel stable unsymmetrical steroidal based spirocycloalkane 1,2,4,5 tetraoxane 8 has been developed from 3β-acetoxy-pregn-5(6), 16(17)-diene-20-one (16-dehydropregnenolone acetate, i.e

  本文通过酸催化的双环氧乙烷酮的缩合反应，重点研究了不对称双螺环的1,2,4,5-四恶烷与A环操作的C-20羧酸甲酯固醇衍生物的合成。由3β-乙酰氧基-pregn-5（6），16（17）-二烯-20-一（16-脱氢孕烯醇酮乙酸酯，即16-DPA ）开发了新型稳定的基于不对称甾体的螺环烷烃1,2,4,5四恶烷8）1通过金属介导的卤化反应为关键反应。
• Method of separating imide compound
  申请人：——

  公开号：US20020169331A1

  公开（公告）日：2002-11-14

  A reaction product and an imide compound can be separated from a reaction mixture obtained by reacting a substrate in the presence of the imide compound having an imide unit represented by the following formula (1): 1 wherein X represents an oxygen atom, a hydroxyl group or an acyloxy group by (A1) a solvent-crystallization step for crystallizing the imide compound with at least one solvent selected from the group consisting of a hydrocarbon, a chain ether and water, (A2) a cooling-crystallization step for crystallizing the reaction product by cooling, or (B) an extraction step for distributing the reaction product into a phase of a water-insoluble solvent and the imide compound into a phase of an aqueous solvent, respectively by using the aqueous solvent containing at least water and the water-insoluble solvent separable from the aqueous solvent. Further, the imide compound and the metal catalyst can be separated from a mixture containing the imide compound and the metal catalyst by (C) a solvent-crystallization step for crystallizing the imide compound by using a solvent for crystallization, (D) an absorption step for absorbing the metal catalyst by an absorption treatment, or (E) an extraction step for distributing the imide compound into a phase of a water-insoluble solvent and the metal catalyst into a phase of an aqueous solvent, respectively by using the aqueous solvent containing at least water and the water-insoluble solvent separable from the aqueous solvent.

  一种反应产物和一种亚酰亚胺化合物可以从通过在亚酰亚胺化合物存在的情况下将底物反应得到的反应混合物中分离出来，该亚酰亚胺化合物具有以下式（1）所表示的亚酰亚胺单元： 1 其中X代表氧原子、羟基或酰氧基 通过（A1）用羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和水等羟烃、链醚和
• Catalyst comprising a cyclic imide compound and process for producing organic compounds using the catalyst
  申请人：——

  公开号：US20020128149A1

  公开（公告）日：2002-09-12

  A catalyst includes a cyclic imide compound having an N-substituted cyclic imide skeleton represented by following Formula (I): 1 wherein X is an oxygen atom or a hydroxyl group, and having a solubility parameter of less than or equal to 26 [(MPa) ½ ] as determined by Fedors method. The catalyst may further comprise a metallic compound. By allowing (A) a compound capable of forming a radical to react with (B) a radical scavenging compound in the presence of the catalyst, an addition or substitution reaction product between the compound (A) and the compound (B) or a derivative thereof can be obtained.

  催化剂包括具有由下式（I）表示的N-取代的环状亚酰亚胺骨架的环状亚酰亚胺化合物，其中X是氧原子或羟基，并且具有由Fedors方法确定的溶解度参数小于或等于26 [（MPa）½]。该催化剂还可以包括金属化合物。通过允许（A）能够形成自由基的化合物与（B）自由基清除化合物在催化剂存在的情况下发生反应，可以获得化合物（A）和化合物（B）之间的加成或取代反应产物或其衍生物。
• Stereoselective Desymmetrizations by Recombinant Whole Cells Expressing the Baeyer–Villiger Monooxygenase fromXanthobacter sp. ZL5: A New Biocatalyst Accepting Structurally Demanding Substrates
  作者：Daniela V. Rial、Dario A. Bianchi、Petra Kapitanova、Alenka Lengar、Jan B. van Beilen、Marko D. Mihovilovic

  DOI：10.1002/ejoc.200700872

  日期：2008.3

  Baeyer–Villiger monooxygenase from Xanthobacter sp. ZL5 with respect to biotransformations of prochiral substrates is characterized. This enzyme catalyzes the desymmetrization of cyclic ketones bearing different chemical features with stereoselectivity similar to that obtained with a related protein fromAcinetobacter as a prototype representative of the cyclohexanone monooxygenase enzyme cluster. Moreover

  在这项工作中，过表达来自黄杆菌属的 Baeyer-Villiger 单加氧酶的工程全细胞的底物谱和立体选择性。ZL5 关于前手性底物的生物转化的特征。该酶催化具有不同化学特征的环酮的去对称化，立体选择性类似于用来自不动杆菌的相关蛋白质作为环己酮单加氧酶酶簇的原型代表获得的。此外，这种生物催化剂能够以优异的对映选择性转化以前没有被其他酶转化的空间要求高的底物。这些结果扩展了全细胞生物转化过程可获得的光学纯内酯的所有成分，它们是合成天然和生物活性产品的有用中间体。此外，我们观察到由该单加氧酶催化的非活化 C=C 键发生显着的环氧化反应。（© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008）
• Synthesis of N-Doped Mesoporous Carbon Nanorods through Nano-Confined Reaction: High-Performance Catalyst Support for Hydrogenation of Phenol Derivatives
  作者：Xueteng Liu、Fei Pang、Jianping Ge

  DOI：10.1002/asia.201800112

  日期：2018.4.4

  Traditional hard‐template methods for the preparation of mesoporous carbon structures have been well developed, but there are difficulties associated with complete filling of the organic precursors in ordered mesochannels and exact replication of the templates. Herein, mesoporous carbon nanorods (meso‐CNRs) were synthesized through thermal condensation of furfuryl alcohol followed by the nano‐confined decomposition

  用于制备介孔碳结构的传统硬模板方法已经得到了很好的开发，但是与在有序介孔中完全填充有机前体以及模板的精确复制相关的困难。在此，介孔碳纳米棒（meso-CNRs）是通过糠醇的热缩合，然后在二氧化硅纳米管（SiO 2NTs）与多孔壳。通过二氧化硅纳米管内部的多孔壳和有限的聚糠醛前体的有限且缓慢的气态水释放是造成中孔结构的原因。通过将盐酸胍添加到前体中，可以将氮掺杂到中间CNR中。氮掺杂剂不仅稳定了介孔CNR中的超小型活性Pd纳米催化剂，而且还增加了Pd的电子密度并加速了H 2的离解，这两者均增加了Pd催化剂在氢化反应中的催化活性。

表征谱图