4-(1,3-dioxolan-2-yl)cyclohexan-1-one | 123762-04-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氧戊环
• 英文名称: 4-(1,3-dioxolan-2-yl)cyclohexan-1-one
• 英文别名: 4-(1,3-dioxolan-2-yl)cyclohexanone
• CAS: 123762-04-9
• 化学式: C₉H₁₄O₃
• 分子量: 170.208
• InChiKey: KFYOQIFFHXVJHH-UHFFFAOYSA-N

物化性质

• 沸点：
  272.4±40.0 °C(Predicted)
• 密度：
  1.154±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(1,3-dioxolan-2-yl)cyclohexan-1-one 在 potassium hydride 、 sodium hydride 、 一水合肼 作用下， 以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  Discovery of bicyclic pyrazoles as class III histone deacetylase SIRT1 and SIRT2 inhibitors

  摘要：

  A series of bicyclic pyrazole carboxamides was synthesized and tested for inhibitory activity against the class III deacetylase sirtuin enzymes. Moderate to low micromolar inhibitory activities were obtained against SIRT1 and SIRT2. These bicyclic pyrazole compounds represent a new class of sirtuin inhibitors with a preference for SIRT1 over SIRT2. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2015.04.068
• 作为产物：
  描述：

  环己酮-4-甲醛 、 乙二醇 在 对甲苯磺酸 苯 、 silica gel 、 ethyl acetate petroleum ether 作用下， 以 苯 为溶剂， 反应 16.0h， 以to give 4-(1,3-dioxolan-2-yl)cyclohexanone (9.1 g, 44%) as a colorless oil的产率得到4-(1,3-dioxolan-2-yl)cyclohexan-1-one
  参考文献：
  名称：

  Furanone Compounds and Methods of Making and Using The Same

  摘要：

  本发明涉及一般式（I）的化合物：（应在此插入公式）。式（I）的化合物具有意外的高亲和力，可用作Alk5和/或Alk4的拮抗剂，以预防和/或治疗许多疾病，包括纤维化疾病。

  公开号：

  US20100105714A1

文献信息

• Nitrogen-containing tricyclic compounds
  申请人：Yamada Rintaro

  公开号：US20060247266A1

  公开（公告）日：2006-11-02

  A novel compound represented by the following formula (1) or a salt thereof [wherein R 1 , R 5 , R 6 , R 7 , and R 8 represent hydrogen atom, a halogen atom, hydroxyl group, an alkyl group, an alkenyl group and the like; X 1 . . . X 2 represents —CH(R 2 )—CH(R 3 )—, —CH(R 2 )—CH(R 3 )—CH(R 4 )—, —C(R 2 )═C(R 3 )—, or —C(R 2 )═C(R 3 )—CH(R 4 )—(R 2 , R 3 , and R 4 represent hydrogen atom, or an alkyl group); A 1 , A 11 , A 2 , and A 21 represent hydrogen atom, or an alkyl group; Y represents —CH(A 3 )-, —CH(A 3 )-C(A 4 )(A 41 )-, —CH(A 3 )-C(A 4 )(A 41 )-C(A 5 )(A 51 )-, or a single bond (A 3 , A 4 , A 41 , A 5 , and A 51 represent hydrogen atom, or an alkyl group), and Z represents hydroxyl group, or —N(A 6 )(A 61 )(A 6 represents hydrogen atom, or an alkyl group, and A 61 represents hydrogen atom, an alkyl group, a substituted alkyl group and the like)], having an action of potently inhibiting phosphorylation of myosin regulatory light chain.

  以下式（1）表示的新化合物或其盐[其中R1、R5、R6、R7和R8代表氢原子、卤素原子、羟基、烷基、烯基等；X1...X2代表—CH(R2)—CH(R3)—、—CH(R2)—CH(R3)—CH(R4)—、—C(R2)=C(R3)—或—C(R2)=C(R3)—CH(R4)—(R2、R3和R4代表氢原子或烷基)；A1、A11、A2和A21代表氢原子或烷基；Y代表—CH(A3)-、—CH(A3)-C(A4)(A41)-、—CH(A3)-C(A4)(A41)-C(A5)(A51)-或单一键（A3、A4、A41、A5和A51代表氢原子或烷基），Z代表羟基或—N(A6)(A61)(A6代表氢原子或烷基，A61代表氢原子、烷基、取代烷基等)]具有强烈抑制肌球蛋白调节轻链磷酸化的作用。
• Diastereoselective Intramolecular Hydride Transfer under Brønsted Acid Catalysis
  作者：Bin Wang、Dhika Aditya Gandamana、Fabien Gagosz、Shunsuke Chiba

  DOI：10.1021/acs.orglett.9b00590

  日期：2019.4.5

  A diastereoselective hydride transfer process has been developed under Brønsted acid-catalyzed reaction conditions using methyl ethers or acetals as hydride donors and tertiary alcohols or alkenes as precursors of carbocation. The method enables construction of complex molecules having multiple stereogenic centers from rather simple and readily available starting materials with predictable diastereoselective

  在布朗斯台德酸催化的反应条件下，开发了一种非对映选择性的氢化物转移方法，使用甲基醚或乙缩醛作为氢化物供体，叔醇或烯烃作为碳正离子化的前体。该方法使得能够由具有可预测的非对映选择性控制的相当简单且容易获得的起始原料构建具有多个立体异构中心的复杂分子。
• Bis(trifluoroacetylacetonato)cobalt(II) Catalyzed Oxidation-Reduction Hydration of Olefins Selective Formation of Alcohols from Olefins
  作者：Satoshi Inoki、Koji Kato、Toshihiro Takai、Shigeru Isayama、Tohru Yamada、Teruaki Mukaiyama

  DOI：10.1246/cl.1989.515

  日期：1989.3

  Various olefins are hydrated with molecular oxygen (oxidant) and a secondary alcohol (reductant) in the presence of a catalytic amount of bis(trifluoroacetylacetonato)cobalt(II) in good yields.

  在催化量的双（三氟乙酰丙酮合）钴 (II) 存在下，各种烯烃与分子氧（氧化剂）和仲醇（还原剂）以良好的产率水合。
• PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS
  申请人：Allen Jennifer R.

  公开号：US20100125062A1

  公开（公告）日：2010-05-20

  Pyridine and pyrimidine compounds, and compositions containing them, and processes for preparing such compounds. Provided herein also are methods of treating disorders or diseases treatable by inhibition of PDE10, such as obesity, non-insulin dependent diabetes, schizophrenia, bipolar disorder, obsessive-compulsive disorder, and the like.

  吡啶和嘧啶化合物，以及含有它们的组合物，以及制备这些化合物的方法。本文还提供了治疗通过抑制PDE10可治疗的疾病或疾病的方法，如肥胖症、非胰岛素依赖型糖尿病、精神分裂症、躁郁症、强迫症等。
• ALKENYL DIOXANE COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE
  申请人：JNC CORPORATION

  公开号：US20160280996A1

  公开（公告）日：2016-09-29

  A problem is to provide a liquid crystal compound satisfying at least one physical property such as high stability to heat and light, high clearing point, low minimum temperature of liquid crystal phase, small viscosity, suitable optical anisotropy, large dielectric anisotropy, suitable elastic constant and excellent compatibility with other liquid crystal compounds, a liquid crystal composition containing the compound, and a liquid crystal display device including the composition. The compound is represented by formula (1). In formula (1), for example, R 1 is alkenyl; ring A 1 and ring A 2 are 1,4-cyclohexylene or 1,4-phenylene; Z 1 , Z 2 , Z 3 are a single bond or —COO—; X 1 is hydrogen or fluorine; L 1 , L 2 , L 3 and L 4 are hydrogen or fluorine; and a and b are each independently 0 or 1, a sum of a and b is 1, and when a is 1, at least one of ring A 1 and ring A 2 is 1,4-cyclohexylene.

  问题是提供一种满足至少一种物理性质的液晶化合物，例如对热和光的高稳定性，高清晰点，液晶相的低最低温度，小粘度，适当的光学各向异性，大介电各向异性，适当的弹性常数以及与其他液晶化合物具有良好兼容性的液晶组合物，包含该化合物的液晶组合物，以及包括该组合物的液晶显示装置。该化合物由式（1）表示。在式（1）中，例如，R1是烯基；环A1和环A2是1,4-环己烯或1,4-苯基；Z1、Z2、Z3是单键或—COO—；X1是氢或氟；L1、L2、L3和L4是氢或氟；a和b分别是0或1，a和b的和为1，当a为1时，环A1和环A2中至少有一个是1,4-环己烯。