2-methylpentane-1,2-diol | 20667-05-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-methylpentane-1,2-diol
• 英文别名: 2-methyl-1,2-pentanediol；2-propylpropylene glycol；2-Methyl-pentan-1,2-diol；2-(hydroxymethyl)-pentan-2-ol
• CAS: 20667-05-4
• 化学式: C₆H₁₄O₂
• 分子量: 118.176
• InChiKey: XERGTCWVYOKNAV-UHFFFAOYSA-N

物化性质

• 熔点：
  26.38°C (estimate)
• 沸点：
  221.7°C (rough estimate)
• 密度：
  0.9843 (rough estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  8
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-methylpentane-1,2-diol 在 diethoxyltriphenylphosphorane 作用下， 以 二氯甲烷 为溶剂， 反应 116.0h， 以66%的产率得到2-methyl-2-propyl-oxirane
  参考文献：
  名称：

  Diethoxytriphenylphosphorane: a mild, regioselective cyclodehydrating reagent for conversion of diols to cyclic ethers: stereochemistry, synthetic utility, and scope

  摘要：

  DOI：

  10.1021/ja00304a030
• 作为产物：
  描述：

  异己烯 在 四氧化锇 、 N-甲基吲哚酮 作用下， 以 水 、 丙酮 、 乙腈 为溶剂， 以78%的产率得到2-methylpentane-1,2-diol
  参考文献：
  名称：

  微囊化四氧化O。一种新型的可回收和可重复使用的聚合物支持的for催化剂，用于烯烃的二羟基化。

  摘要：

  DOI：

  10.1021/jo981127y

文献信息

• Homogeneous and heterogeneous photoredox-catalyzed hydroxymethylation of ketones and keto esters: catalyst screening, chemoselectivity and dilution effects
  作者：Axel G Griesbeck、Melissa Reckenthäler

  DOI：10.3762/bjoc.10.114

  日期：——

  The homogeneous titanium- and dye-catalyzed as well as the heterogeneous semiconductor particle-catalyzed photohydroxymethylation of ketones by methanol were investigated in order to evaluate the most active photocatalyst system. Dialkoxytitanium dichlorides are the most efficient species for chemoselective hydroxymethylation of acetophenone as well as other aromatic and aliphatic ketones. Pinacol coupling is the dominant process for semiconductor catalysis and ketone reduction dominates the Ti(OiPr)₄/methanol or isopropanol systems. Application of dilution effects on the TiO₂ catalysis leads to an increase in hydroxymethylation at the expense of the pinacol coupling.

  通过甲醇进行的均相钛和染料催化以及非均相半导体颗粒催化的酮类光羟甲基化反应进行了研究，以评估最活跃的光催化剂体系。二烷氧基钛二氯化物是对苯乙酮以及其他芳香族和脂肪族酮类进行化学选择性羟甲基化的最有效物种。对于半导体催化来说，邻苯二醇偶联是主要过程，而酮类还原主导着Ti(OiPr)₄/甲醇或异丙醇体系。在TiO₂催化中应用稀释效应会导致羟甲基化增加，而邻苯二醇偶联减少。
• [EN] BIARYL-CONTAINING COMPOUNDS AS INVERSE AGONISTS OF ROR-GAMMA RECEPTORS<br/>[FR] COMPOSÉS CONTENANT BIARYLE COMME AGONISTES INVERSES DE RÉCEPTEURS ROR-GAMMA
  申请人：BIOGEN IDEC INC

  公开号：WO2014008214A1

  公开（公告）日：2014-01-09

  The present invention relates to biaryl-containing inverse agonists of ROR-gamma receptors. The invention also provides pharmaceutical compositions comprising these biaryl- containing inverse agonists, and methods of modulating ROR-gamma receptors using these inverse agonists. Also provided are methods of using biaryl-containing inverse agonists to treat ROR-gamma mediated diseases.

  本发明涉及含有联苯基的ROR-gamma受体的逆激动剂。该发明还提供了包含这些含有联苯基的逆激动剂的药物组合物，以及使用这些逆激动剂调节ROR-gamma受体的方法。同时提供了使用含有联苯基的逆激动剂治疗ROR-gamma介导疾病的方法。
• Heteroaroyl-Substituted Serine Amides
  申请人：Witschel Matthias

  公开号：US20100099568A1

  公开（公告）日：2010-04-22

  The present invention relates to heteroaroyl-substituted serinamides of the formula (I) in which the variables A and R 1 to R 6 are as defined in the description, and to their agriculturally useful salts, to processes and intermediates for their preparation, and to the use of these compounds or of the compositions comprising these compounds for controlling unwanted plants.

  本发明涉及异芳酰基取代的丝氨酰胺的化学式(I)，其中变量A和R1至R6如描述中所定义，并涉及它们在农业上有用的盐，用于它们的制备过程和中间体，以及利用这些化合物或包含这些化合物的组合物来控制不受欢迎的植物。
• Heteroaroyl-Substituted Alanines with a Herbicidal Action
  申请人：Witschel Matthias

  公开号：US20090186766A1

  公开（公告）日：2009-07-23

  The present invention relates to heteroaroyl-substituted alanines of the formula I in which the variables A and R 1 to R 8 are as defined in the description, and to their agriculturally useful salts, to processes and intermediates for their preparation, and to the use of these compounds or of compositions comprising these compounds for controlling unwanted plants.

  本发明涉及公式I的杂环芳基取代的丙氨酸，其中变量A和R1至R8如描述中定义，并涉及它们的农业有用盐，用于其制备的过程和中间体，以及这些化合物或包含这些化合物的组合物用于控制不受欢迎的植物。
• LIQUID CRYSTALLINE COMPOUND HAVING PIPERIDINE RING, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT
  申请人：CHISSO CORPORATION

  公开号：EP1072593A1

  公开（公告）日：2001-01-31

  The present invention relates to a novel liquid crystalline compound represented by Formula (1): wherein R represents an alkyl group having 1 to 10 carbon atoms or a fluoroalkyl group having 1 to 10 carbon atoms, and R' represents an alkyl group having 1 to 10 carbon atoms, a fluoroalkyl group having 1 to 10 carbon atoms, a fluorine atom, a chlorine atom, a bromine atom or a cyano group, in which any methylene groups which are not adjacent to each other in these alkyl groups and any methylene groups and/or fluoromethylene groups which are not adjacent to each other in the fluoroalkyl groups may be substituted with oxygen atoms, sulfur atoms or -CH=CH-; the rings A1, A2, A3 and A4 each independently represent 1,4-cyclohexylene, 1,4-phenylene in which 1 to 2 hydrogen atoms may be substituted with fluorine atoms, dioxane-2,5-diyl, pyrimidine-2,5-diyl, pyridine-2,5-diyl, piperidine-1,4-diyl or 1-sila-1,4-cyclohexylene; B1, B2, B3, B4 and B5 each independently represent a single bond, -CH2CH2-, -CH=CH-, -OCH2-, -CH2O-, -(CH2)4-, -OCO- or -COO-; l, m, n and p each independently represent 0 or 1; and Z represents one group selected from the following moieties (I) to (V): provided that when Z is the moiety (II), l + m + n + p > 0, and the rings A1, A2, A3 and A4 each independently represent 1,4-phenylene in which 1 to 2 hydrogen atoms are substituted with fluorine atoms, pyrimidine-2,5-diyl, pyridine-2,5-diyl, piperidine-1,4-diyl or 1-sila-1,4-cyclohexylene; and that when Z is the moiety (III) and l = m = n = p = 0, R is an alkyl group, and R' is not a fluorine atom or a cyano group when B5 is a single bond. The present invention further relates to a liquid crystal composition comprising the above compound and a liquid crystal display element comprising the above composition. The liquid crystalline compound of the present invention has a particularly large dielectric anisotropy and refractive anisotropy and a low viscosity and is excellent in a low temperature compatibility.

  本发明涉及一种新颖的液晶化合物，其表示为式（1）所示：其中R代表具有1至10个碳原子的烷基基团或具有1至10个碳原子的氟烷基基团，R'代表具有1至10个碳原子的烷基基团、具有1至10个碳原子的氟烷基基团、氟原子、氯原子、溴原子或氰基，在这些烷基基团中不相邻的任何亚甲基基团和不相邻的亚甲基和/或氟亚甲基基团可以用氧原子、硫原子或-CH=CH-取代；环A1、A2、A3和A4分别独立地表示1,4-环己亚甲基、1,4-苯基，其中1至2个氢原子可以用氟原子取代，二氧杂环戊二亚基、嘧啶-2,5-二亚基、吡啶-2,5-二亚基、哌啶-1,4-二亚基或1-硅-1,4-环己亚甲基；B1、B2、B3、B4和B5分别独立地表示单键、-CH2CH2-、-CH=CH-、-OCH2-、-CH2O-、-(CH2)4-、-OCO-或-COO-；l、m、n和p各自独立地表示0或1；Z表示从以下基团（I）到（V）中选择的一个基团：但是当Z为基团（II）时，l + m + n + p > 0，环A1、A2、A3和A4分别独立地表示1,4-苯基，其中1至2个氢原子被氟原子取代，嘧啶-2,5-二亚基、吡啶-2,5-二亚基、哌啶-1,4-二亚基或1-硅-1,4-环己亚甲基；当Z为基团（III）且l = m = n = p = 0时，R为烷基基团，当B5为单键时，R'不是氟原子或氰基。本发明还涉及包括上述化合物的液晶组合物和包括上述组合物的液晶显示元件。本发明的液晶化合物具有特别大的介电各向异性和折射各向异性，低粘度，并且在低温兼容性方面表现出色。