1,1-dimethoxy-2-chlorocyclohexane | 65933-44-0

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 卤代烷
• 英文名称: 1,1-dimethoxy-2-chlorocyclohexane
• 英文别名: 2-chloro-1,1-dimethoxycyclohexane；2,2-Dimethoxycyclohexyl chloride；1-Chlor-2,2-dimethoxy-cyclohexan；2-Chlor-1,1-dimethoxycyclohexan
• CAS: 65933-44-0
• 化学式: C₈H₁₅ClO₂
• 分子量: 178.659
• InChiKey: MQDHNJMXBCMOBF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,1-dimethoxy-2-chlorocyclohexane 在 对甲苯磺酸 作用下， 以85%的产率得到6-氯-1-甲氧基环己烯
  参考文献：
  名称：

  Organic reactions of sulfur dioxide. Reactions with nucleophilic double bonds leading to the isomerization, aromatization, selective hydrogen-deuterium exchange, and electron-transfer processes

  摘要：

  DOI：

  10.1021/jo00173a028
• 作为产物：
  描述：

  2-氯环己酮 以86%的产率得到
  参考文献：
  名称：

  KACYMOB H. K., MATERIALY NAUCH. KONF. ASPIRANTOV AN AZSSR, 1978. OTD. FIZ.-TEXN. I MAT.,+

  摘要：

  DOI：

文献信息

• ACRYLATE ESTER DERIVATIVES AND POLYMER COMPOUNDS
  申请人：NAKAYAMA Osamu

  公开号：US20120316349A1

  公开（公告）日：2012-12-13

  A cyclic alcohol of formula (II-1): wherein: R 2 , R 3 , and R 4 are each independently a hydrogen atom, a linear alkyl group comprising 1 to 6 carbon atoms, a branched alkyl group comprising 3 to 6 carbon atoms, or a cyclic alkyl group comprising 3 to 6 carbon atoms; or R 2 and R 3 or R 3 and R 4 combine to form an alkylene group comprising 3 to 6 carbon atoms; m is 1 or 2; R 5 , R 6 , R 7 , R 8 , R 9 , and R 10 are each independently a hydrogen atom, a linear alkyl group comprising 1 to 6 carbon atoms, a branched alkyl group comprising 3 to 6 carbon atoms, or a cyclic alkyl group comprising 3 to 6 carbon atoms; A is an oxygen atom; and B is an oxygen atom or a sulfur atom. In addition, a process for producing the cyclic alcohol of formula (II-1).

  一种化学式为(II-1)的环状醇：其中：R2、R3和R4分别独立地是氢原子、由1至6个碳原子组成的直链烷基基团、由3至6个碳原子组成的支链烷基基团或由3至6个碳原子组成的环状烷基基团；或者R2和R3或R3和R4结合形成由3至6个碳原子组成的亚烯基基团；m为1或2；R5、R6、R7、R8、R9和R10分别独立地是氢原子、由1至6个碳原子组成的直链烷基基团、由3至6个碳原子组成的支链烷基基团或由3至6个碳原子组成的环状烷基基团；A为氧原子；B为氧原子或硫原子。此外，一种制备化学式(II-1)的环状醇的方法。
• Stereochemical studies—XXVI
  作者：Ismail G. Mursakulov、M.M. Guseinov、N.K. Kasumov、Nikolai S. Zefirov、V.V. Samoshin、E.G. Chalenko

  DOI：10.1016/0040-4020(82)85169-7

  日期：1982.1

  position of the conformational equilibria in a series of 2-substituted cyclohexanone ketals have been determined by 1H NMR. For the ethylene ketals 6 the equatorial conformer has been found to be enthalpically preferred. The other ketal system (5, 7–9), in contrast, display predominance of axial conformers. The reasons for this behavior are discussed in terms of rotameric conformations of acetal chains

  在一系列2-取代的环己酮缩酮中，构象平衡的位置已经通过1 H NMR确定。对于乙烯缩酮6，发现赤道构象异构体在焓上是优选的。相比之下，其他缩酮系统（5、7–9）则显示出轴向整合子的优势。根据乙缩醛链的旋转异构构象讨论了这种行为的原因。
• A Safe, Convenient and Efficient One-Pot Synthesis of α-Chloroketone Acetals Directly from Ketones Using Iodobenzene Dichloride
  作者：Chi Zhang、Jun Yu

  DOI：10.1055/s-0029-1216856

  日期：2009.7

  aliphatic and aromatic ketones, can be directly converted into their corresponding α-chloroketone acetals in high to excellent yields using iodobenzene dichloride in ethylene glycol in the presence of 4 Å molecular sieves at room temperature. ketones - iodobenzene - dichloride - halogenation - hypervalent iodine - acetals

  在室温下，使用4Å分子筛，在乙二醇中使用二氯化碘代苯，可以将各种酮（包括脂肪族和芳香族酮）直接高产率地转化为相应的α-氯酮缩醛。 酮-碘苯-二氯化物-卤化-高价碘-乙缩醛
• Nucleophilic Substitution Reactions of Sulfur-Substituted Cyclohexanone Acetals:  An Analysis of the Factors Controlling Stereoselectivity
  作者：Susan B. Billings、K. A. Woerpel

  DOI：10.1021/jo060077r

  日期：2006.7.1

  The reactions of cyclohexanone acetals substituted with thiophenyl groups (and other heteroatoms) at C-2 demonstrate the powerful influence that these substituents have on the stereoselectivity of nucleophilic substitution reactions. The trans selectivities of these reactions correlate with the behavior of the corresponding ketones. These experiments lend support to the possibility that the reactions

  在C-2处被硫代苯基（和其他杂原子）取代的环己酮缩醛的反应表明，这些取代基对亲核取代反应的立体选择性具有强大的影响。这些反应的反式选择性与相应酮的行为相关。这些实验支持了通过氧碳ions离子进行的缩醛反应在Felkin-Anh控制下进行的可能性。
• METHOD FOR PRODUCING ACRYLATE DERIVATIVE, ACRYLATE DERIVATIVE, AND INTERMEDIATE THEREOF
  申请人：Nakayama Osamu

  公开号：US20110009643A1

  公开（公告）日：2011-01-13

  Provided are 1) a production process for an acrylic ester derivative capable of being a raw material of a polymer for obtaining a photoresist composition capable of forming a photoresist film which is excellent in a reactivity to acid and a heat stability and is less swollen in developing and which has a refractive index of preferably 1.72 or more in 193 nm and can be patterned, 2) an acrylic ester derivative obtained by the above production process and 3) alcohol and ester which are synthetic intermediates for the above acrylic ester derivative.

  提供了以下内容：1）一种丙烯酸酯衍生物的生产工艺，该衍生物可以作为聚合物的原料，用于获得一种光阻组合物，该光阻组合物能形成一种对酸具有良好反应性和热稳定性的光阻膜，并且在显影时膨胀较少，其折射率在193纳米时最好为1.72或更高，并且可以进行图案化；2）通过上述生产工艺获得的丙烯酸酯衍生物；以及3）用于上述丙烯酸酯衍生物的合成中间体醇和酯。