环己酚 | 119-42-6

• 物质功能分类: 有机原料 - 醇、酚、酚醇类化合物及衍生物 - 酚及其卤化、磺化、硝化或亚硝化衍生物
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 环己酚
• 中文别名: 2-环己酚；2-环己基苯酚；邻环己基苯酚；邻环己酚
• 英文名称: 2-cyclohexylphenol
• 英文别名: o-cyclohexylphenol；ortho-cyclohexylphenol
• CAS: 119-42-6；26570-85-4
• 化学式: C₁₂H₁₆O
• mdl: MFCD00019335
• 分子量: 176.258
• InChiKey: MVRPPTGLVPEMPI-UHFFFAOYSA-N

物化性质

• 熔点：
  56°C
• 沸点：
  284 °C
• 密度：
  0.9452 (rough estimate)
• 闪点：
  134℃

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 危险类别码：
  R36/37/38
• 海关编码：
  2907199090
• 安全说明：
  S26,S36/37/39

反应信息

• 作为反应物：
  描述：

  环己酚 在 盐酸 、 sodium nitrite 作用下， 以 乙醇 为溶剂， 反应 5.0h， 以62%的产率得到5-(hydroxyimino)-[1,1'-bi(cyclohexane)]-3,6-dien-2-one
  参考文献：
  名称：

  Antimalarial drugs. 61. Synthesis and antimalarial effects of 4-[(7-chloro-4-quinolinyl)amino]-2-[(diethylamino)methyl]-6-alkylphenols and their N.omega.-oxides

  摘要：

  A series of 4-[(7-chloro-4-quinolinyl)amino]-2-[(diethylamino)methyl]-6-alkylphenols and their N omega-oxides were synthesized by the condensation of 4,7-dichloroquinoline and 4,7-dichloroquinoline N omega-oxide with appropriately substituted 4-amino-2-[(diethylamino)methyl]-6-alkylphenol dihydrochlorides. The latter precursors were prepared in a six-step synthesis starting from available 2-alkylphenols. Several of the title compounds display potent antimalarial activity in mice.

  DOI：

  10.1021/jm00388a027
• 作为产物：
  描述：

  苯 在 盐酸 、 三氯化铝 、 硝酸 、 乙酸酐 、 溶剂黄146 、 tin(ll) chloride 作用下， 生成 环己酚
  参考文献：
  名称：

  Neunhoeffer, Journal fur praktische Chemie (Leipzig 1954), 1932, vol. <2> 133, p. 95,105

  摘要：

  DOI：
• 作为试剂：
  描述：

  二氧化三碳 在 乙醚 、 环己酚 、 对甲苯磺酸 作用下， 生成 malonic acid bis-(2-cyclohexyl-phenyl ester)
  参考文献：
  名称：

  Billman et al., Proceedings of the Indiana Academy of Science, 1952, vol. 61, p. 126

  摘要：

  DOI：

文献信息

• Selective Transformation of Strychnine and 1,2-Disubstituted Benzenes by C–H Borylation
  作者：Yutaro Saito、Kotono Yamanoue、Yasutomo Segawa、Kenichiro Itami

  DOI：10.1016/j.chempr.2020.02.004

  日期：2020.4

  as natural products, pharmaceuticals, and π-conjugated systems are at the heart of constructing and modifying organic molecules, whereby the selectivity and predictability are of the utmost importance. Herein, we report the highly C3-selective C–H borylation of strychnine along with olefin isomerization, catalyzed by an iridium complex with a diphosphine ligand. This method enabled us to rapidly produce

  复杂分子（例如天然产物，药物和π共轭体系）的C–H功能化是构建和修饰有机分子的核心，因此，选择性和可预测性至关重要。在本文中，我们报道了由铱与二膦配体的配合物催化的士的宁的高度C3选择性C–H硼氢化以及烯烃异构化。这种方法使我们能够通过使用相应的C3硼化和异构化的类似物作为常见的合成中间体，快速生产15种士的宁衍生物。目前的催化剂体系通常对不对称1,2-二取代苯衍生物的C–H官能化也有效，包括稠合的π-体系（黄嘌呤，芴，萘和蒽）和药物（硝苯地平），
• PROCESS FOR THE PREPARATION OF AROMATIC AMINES
  申请人：AHRENS SEBASTIAN

  公开号：US20120071692A1

  公开（公告）日：2012-03-22

  A process for preparing an aromatic amine by reacting a corresponding aromatic alcohol with an aminating agent selected from the group consisting of ammonia, primary amines and secondary amines, in the presence of hydrogen and a catalyst molding, at a temperature of from 60-300°. The catalyst molding comprises Zr, Pd and Pt and has an annular tablet form with an external diameter in the range from 2-6 mm, a height in the range from 1-4 mm and an internal diameter of from 1-5 mm or a topologically equivalent form with the same volume. Catalyst moldings comprising Zr, Pd and Pt are also provided. The catalyst molding has an annular tablet form with an external diameter in the range from 3-6 mm, a height in the range from 1-4 mm and an internal diameter of from 2-5 mm or a topologically equivalent form.

  一种通过将相应的芳香醇与选自氨、一级胺和二级胺的氨基化剂在氢气和催化剂模具的存在下反应来制备芳香胺的方法，温度范围为60-300°C。所述催化剂模具包含Zr、Pd和Pt，并具有外径在2-6毫米范围内、高度在1-4毫米范围内和内径为1-5毫米的环形片形式或具有相同体积的拓扑等效形式。还提供了包含Zr、Pd和Pt的催化剂模具。所述催化剂模具具有外径在3-6毫米范围内、高度在1-4毫米范围内和内径为2-5毫米的环形片形式或具有相同体积的拓扑等效形式。
• The combination of mononuclear metallocene and phenoxyimine complexes to give trinuclear catalysts for the polymerization of ethylene
  作者：Christian Görl、Helmut G. Alt

  DOI：10.1016/j.jorganchem.2007.10.001

  日期：2007.12

  Trinuclear complexes were synthesized by combination of metallocene and phenoxyimine zirconium complexes. After activation with methylalumoxane (MAO), these catalysts polymerize ethylene with moderate and good activities. Due to the presence of different catalytic centers, polyethylenes with broad or bimodal molecular weight distributions were obtained.

  通过结合茂金属和苯氧基亚胺锆配合物合成三核配合物。用甲基铝氧烷（MAO）活化后，这些催化剂可聚合具有中等活性的乙烯。由于存在不同的催化中心，因此获得了具有宽或双峰分子量分布的聚乙烯。
• Phenol transalkylation process
  申请人：Ethyl Corporation

  公开号：US03933927A1

  公开（公告）日：1976-01-20

  Phenols having an unsubstituted ortho position are transalkylated in the ortho position by mixing them with an ortho-alpha-branched alkylphenol (e.g., 2,6-di-sec-butylphenol) and an aluminum phenoxide catalyst and heating the mixture to 100.degree.-350.degree.C., preferably in a closed system and in the presence of olefin corresponding in structure to the ortho-alpha-branched alkyl group.

  具有未取代邻位的酚通过将其与一种邻-α-支链的烷基酚（例如，2,6-二-sec-丁基酚）混合，并加入一种铝酚氧催化剂，然后将混合物加热至100°C至350°C，优选在闭合系统中进行，并在存在与邻-α-支链烷基团相对应的烯烃的情况下进行邻位转烷基化反应。
• Oxidation of phenols with chlorine dioxide
  作者：I. M. Ganiev、E. S. Ganieva、N. N. Kabal’nova

  DOI：10.1007/s11172-005-0114-x

  日期：2004.10

  The oxidation of different phenols, viz., phenol, 3-methylphenol, 4-methylphenol, 4-tert-butylphenol, 2-cyclohexylphenol, 2,6-di-tert-butyl-4-methylphenol, and 2,4-dichlorophenol, with chlorine dioxide in acetonitrile was studied spectrophotometrically. The reaction rate is described by a second-order equation w = k[PhOH]· [ClO2]. The rate constants were measured and activation parameters of oxidation were determined in a temperature interval of 10–60°C. A dependence of the reaction rate constant on the phenol structure was found. The oxidation products were identified, and their yields were established.

  研究了不同酚类（即苯酚、3-甲基苯酚、4-甲基苯酚、4-叔丁基苯酚、2-环己基苯酚、2,6-二叔丁基-4-甲基苯酚和2,4-二氯苯酚）在乙腈中与二氧化氯的氧化反应，通过分光光度法进行研究。反应速率由二级方程 w = k[PhOH]·[ClO2] 描述。在10-60°C的温度区间内测定了速率常数并确定了氧化反应的活化参数。发现反应速率常数与酚的结构有关。鉴定了氧化产物并确定了其产率。

表征谱图