2-Brom-4-cyclohexyl-phenol | 15460-06-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-Brom-4-cyclohexyl-phenol
• 英文别名: 2-Bromo-4-cyclohexylphenol
• CAS: 15460-06-7
• 化学式: C₁₂H₁₅BrO
• 分子量: 255.155
• InChiKey: DSYPBKQKCSJRHB-UHFFFAOYSA-N

物化性质

• 沸点：
  130-132 °C
• 密度：
  1.377±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  14
• 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

反应信息

• 作为反应物：
  描述：

  2-Brom-4-cyclohexyl-phenol 在 copper(I) oxide 、 sodium hydroxide 作用下， 生成 4-环己基苯-1,2-二醇
  参考文献：
  名称：

  Mono-cyclohexyl-1.2-dihydroxybenzenes

  摘要：

  公开号：

  US02044318A1
• 作为产物：
  描述：

  对环己基苯酚 在 溴 作用下， 以 氯仿 为溶剂， 生成 2-Brom-4-cyclohexyl-phenol
  参考文献：
  名称：

  不对称取代的杯[4]芳烃；锥形构象中的四酯衍生物的二维1 H NMR研究

  摘要：

  通过片段缩合已经制备了几种在对位具有三个或四个不同取代基的手性杯[4]芳烃。标准的衍生化程序总是导致形成各种构象异构体的混合物，仅通过制备型HPLC可以从中分离出圆锥构象的衍生物。对于四酯衍生物，通过二维1 H NMR光谱显示，由于取代基的不同，其圆锥构象强烈扭曲。然而，该四酯的钠络合物再次呈现规则的锥构型。

  DOI：

  10.1016/s0040-4020(01)96103-4

文献信息

• Asymmetrically substituted calix[4]arenes; A two-dimensional 1H NMR study of a tetraester derivative in the cone-conformation
  作者：Lucia Zetta、Artur Wolff、Walter Vogt、Karl-Ludwig Platt、Volker Böhmer

  DOI：10.1016/s0040-4020(01)96103-4

  日期：1991.3

  condensation. Standard derivatization procedures always led to the formation of mixtures of various conformational isomers from which the derivative in the cone-conformation could be isolated only by preparative HPLC. For a tetraester derivative it was shown by two-dimensional 1H NMR spectroscopy, that due to the different substituents the cone-conformation is strongly distorted. The sodium complex of this tetraester

  通过片段缩合已经制备了几种在对位具有三个或四个不同取代基的手性杯[4]芳烃。标准的衍生化程序总是导致形成各种构象异构体的混合物，仅通过制备型HPLC可以从中分离出圆锥构象的衍生物。对于四酯衍生物，通过二维1 H NMR光谱显示，由于取代基的不同，其圆锥构象强烈扭曲。然而，该四酯的钠络合物再次呈现规则的锥构型。
• Tracheal smooth muscle relaxants
  申请人：——

  公开号：US20030065021A1

  公开（公告）日：2003-04-03

  The present invention offers a tracheal smooth muscle relaxant containing the compound represented by the following formula (1) or pharmacologically acceptable salt thereof as an effective ingredient. 1 [In the formula, X and Y each is any group selected from a group consisting of CH 2 , CHW 1 (where W 1 is halogen atom, hydroxyl group or lower alkoxy group) and C═O when the bond of X and Y is a single bond while, when it is a double bond, X and Y each is any group selected from a group consisting of CH and COW 2 (where W 2 is lower alkyl group or lower alkylcarbonyl group); Z is O, S, S═O or SO 2 ; and R 1 ˜R 8 each is selected from a group consisting of hydrogen atom, VR 9 (where V is O, S, S═O or SO 2 ; and R 9 is hydrogen atom, lower alkyl group, hydroxy lower alkyl group, lower acyl group, trihalomethyl group or carboxyl lower alkyl group), carboxyl lower alkyl group, hydroxy lower alkyl group, hydroxy lower alkenyl group, hydroxy lower alkynyl group, halogen atom, lower alkyl group, lower alkyl ketone, trihalomethyl group, trimethylsilylethynyl, nitro group, amino group, N-carbonyl lower alkyl group, lower alkylphenyl group and phenyl group].

  本发明提供了一种气管平滑肌松弛剂，其含有以下公式（1）所表示的化合物或其药理学上可接受的盐作为有效成分。1＆lsqb;在公式中，当X和Y的键为单键时，X和Y各为从CH2，CHW1（其中W1为卤原子，羟基或较低的烷氧基）和C═O组成的群体中选择的任何一种群体；当它是双键时，X和Y各为从CH和COW2（其中W2为较低的烷基或较低的烷基羰基基团）组成的群体中选择的任何一种群体；Z为O、S、S═O或SO2；R1〜R8各为从氢原子、VR9（其中V为O、S、S═O或SO2；R9为氢原子、较低的烷基、羟基较低的烷基、较低的酰基、三卤甲基或羧基较低的烷基）组成的群体中选择的任何一种群体、羧基较低的烷基、羟基较低的烷基、羟基较低的烯基、羟基较低的炔基、卤原子、较低的烷基、较低的烷基酮、三卤甲基、三甲基硅基乙炔基、硝基、氨基、N-羰基较低的烷基、较低的烷基苯基和苯基。
• Catalytic Asymmetric Synthesis of Aza-Quaternary Carbon Cyclohexadieneones Enabled by Aminative Dearomatization of Phenols
  作者：Yu Chen、Shi-Kun Jia、Xiao Xiao、Min-Can Wang、Lihua Huang、Guang-Jian Mei

  DOI：10.1021/acs.orglett.3c01746

  日期：2023.6.30

  catalytic asymmetric aminative dearomatization reaction of common phenols. As opposed to the well-studied indoles and naphthols, phenols are supposed to be challenging substrates for catalytic asymmetric dearomatization reactions in terms of their strong aromaticity and regioselectivity issues. Under the catalysis of a chiral phosphoric acid, the C4-regiospecific aminative dearomatization of phenols with

  本文报道了常见酚类的催化不对称氨基脱芳构化反应。与经过充分研究的吲哚和萘酚相反，酚类因其强芳香性和区域选择性问题而被认为是催化不对称脱芳构化反应的具有挑战性的底物。在手性磷酸的催化下，苯酚与偶氮二羧酸酯的 C4 区域特异性胺化脱芳构化反应在环境温度下很容易发生，以良好的产率和优异的对映选择性提供了一系列生物学和合成上重要的氮杂季碳环己二烯酮（29 个实例，最多收率达到 98%，并且 >99% ee)。
• Process for preparing polyol-catalyst mixtures useful in the preparation of rigid polyurethane cellular products
  申请人：TEXACO DEVELOPMENT CORPORATION

  公开号：EP0134338A1

  公开（公告）日：1985-03-20

  Reaction of a Mannich base compound, water and an epoxide, preferably at a temperature between 50 and 150°C, with subsequent removal of the water, gives a product useful as a polyol-catalyst composition that reacts with an isocyanate in the presence of a blowing agent to form rigid polyurethane cellular products having a high content of isocyanurate linkages, high heat distortion temperatures and good insulating properties.

  曼尼希碱化合物、水和环氧化物最好在 50 至 150°C 的温度下反应，然后除去水，得到一种可用作多元醇催化剂组合物的产品，它在发泡剂存在下与异氰酸酯反应，形成具有高异氰酸酯链节含量、高热变形温度和良好绝缘性能的硬质聚氨酯蜂窝产品。
• Novel polyol blend and polyisocyanurate foam produced therefrom
  申请人：MOBAY CORPORATION

  公开号：EP0192149A2

  公开（公告）日：1986-08-27

  The present invention is directed to a polyol blend comprising: (a) from about 30 to about 90 percent by weight of a polyester diol having an OH number of from about 50 to about 500 and having the structure: wherein each R may be the same or different and represents a radical of the formula: where R" represents H or CH3 with the proviso that both R"s cannot be CH3, and y represents a number of from 1 to 5, wherein R' represents an aromatic radical having from 6 to 12 carbon atoms, and wherein x represents a number of from 0 to 5, (b) from about 2 to about 40 percent by weight of an organic compound containing from 3 to 8 hydroxyl groups and being selected from the group consisting of (i) compounds having OH numbers of from about 250 to about 1830 and being free of carboxylic acid ester groups, (ii) compounds having OH numbers of from about 150 to about 1000 and containing at least one carboxylic acid ester group, and (iii) mixtures thereof, (c) from about 5 to about 30 percent by weight of a condensation product formed from 1 mole of a phenol and from 4 to 15 moles of ethylene oxide, and (d) from 0 to about 40 percent by weight of at least one diol of the structure: where R" and y are as defined above, and to an isocyanurate foam prepared therefrom.

  本发明涉及一种多元醇混合物，其中包括 (a) 以重量计，约 30%至约 90%的聚酯二元醇，其 OH 数约为 50 至约 500，并具有以下结构： 其中每个 R 可以相同或不同，并代表式中的一个基： 其中 R "代表 H 或 CH3，但两个 R 不能都是 CH3，y 代表 1 至 5 的数字，其中 R'代表具有 6 至 12 个碳原子的芳香基，x 代表 0 至 5 的数字、 (b) 约 2%至约 40%（按重量计）的有机化合物，该有机化合物含有 3 至 8 个羟基，并选自以下组成的组 (i) 具有约 250 至约 1830 个羟基且不含羧酸酯基的化合物、 (ii) 具有约 150 至约 1000 个羟基且含有至少一个羧酸酯基团的化合物，以及 (iii) 它们的混合物、 (c) 1 摩尔苯酚与 4 至 15 摩尔环氧乙烷形成的缩合产物，重量百分比为 5%至 30%，以及 (d) 至少一种结构的二元醇，重量占 0%至约 40%： 其中 R "和 y 如上文所定义，以及由此制备的异氰脲酸酯泡沫。

表征谱图