(2S,4S)-(+)-pentanediol | 165314-44-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2S,4S)-(+)-pentanediol
• 英文别名: pentanediol；2R,4R-pentanediol；1,2-pentanediol；pentanal hydrate；pentane-1,1-diol；(2R,4R)-(-)-pentanediol
• CAS: 165314-44-3
• 化学式: C₅H₁₂O₂
• 分子量: 104.149
• InChiKey: UWJJYHHHVWZFEP-UHFFFAOYSA-N

物化性质

• 沸点：
  174.0±8.0 °C(Predicted)
• 密度：
  0.978±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  7
• 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：

  (2S,4S)-(+)-pentanediol 在 benzyltrimethylammonium chlorobromate 、 溶剂黄146 作用下， 以 二氯甲烷 为溶剂， 反应 10.0h， 生成 正戊酸
  参考文献：
  名称：

  Bohra, Anupama; Sharma, P. K.; Banerji, Kalyan K., Journal of Chemical Research, Miniprint, 1999, # 5, p. 1343 - 1356

  摘要：

  DOI：
• 作为产物：
  描述：

  正戊醛 在 水 作用下， 生成 (2S,4S)-(+)-pentanediol
  参考文献：
  名称：

  Temperature dependent near UV molar absorptivities of several small aldehydes in aqueous solution

  摘要：

  Temperature-dependent molar absorptivities are reported for benzaldehyde, acrolein, isobutyraldehyde, pentanal, and hexanal in aqueous solution. With the exception of acrolein, molar absorptivities are given at eight temperatures in the range 6.5-69.5-degrees-C for wavelengths greater than 200 nm, a spectral resolution of 2.0 nm, and a spacing of 2.5 nm. For acrolein, data are given over a more limited range of temperatures and wavelengths. For benzaldehyde and acrolein, no hydration occurs, as expected, and only small changes in the shape and intensity of the spectrum with temperature are observed. For the other three aldehydes, the hydration reactionRCHO + H2O reversible RCH(OH)2; K(hyd) = [RCH(OH)2]/[RCHO]is the major source for the observed change in intensity with temperature. Based on these changes, the following thermodynamic parameters are obtained for the hydration reaction at T = 25-degrees-C: isobutyraldehyde, K(hyd) = 0.51 +/- 0.06, DELTAH = -26.8 +/- 1.9 kJ mol-1, DELTAS = -95 +/- 7 J mol-1 K-1; pentanal, K(hyd) = 0.55 +/- 0.05, DELTAH = -24.6 +/- 1.6 kJ mol-1, DELTAS = -87 +/- 8 J mol-1 K-1; hexanal, K(hyd) = 0.49 +/- 0.05, DELTAH = 25.3 +/- 2.2 kJ mol-1, DELTAS = -91 +/- 8 J mol-1 K-1. The present results are compared to data obtained previously for smaller aliphatic aldehydes, and the implications of the results for aqueous phase atmospheric chemistry are discussed.

  DOI：

  10.1016/0584-8539(94)e0089-s
• 作为试剂：
  描述：

  2-苯基吡啶 在 氧气 、 copper diacetate 、 silver nitrate 作用下， 以 (2S,4S)-(+)-pentanediol 为溶剂， 反应 24.0h， 以15%的产率得到2,2'-di(pyridin-2-yl)-1,1'-biphenyl
  参考文献：
  名称：

  铜介导的（杂）芳烃螯合辅助邻硝化

  摘要：

  首次开发了一种新型的铜介导的（杂）芳烃螯合辅助邻硝基甲烷硝化反应，该反应使用双氧作为末端氧化剂，并使用1,2,3-TCP作为溶剂，导致硝基芳烃的合成极好的区域选择性和高收率。机理研究表明，该机理涉及一个四中心过渡态，同时裂解了2-芳基吡啶配位的铜（II）络合物上的硝酸根阴离子的邻位CH键和N-O键。

  DOI：

  10.1021/ol2028288

文献信息

• Optically active compound, liquid crystal composition containing said
  申请人：Hitachi, Ltd.

  公开号：US05167863A1

  公开（公告）日：1992-12-01

  There are disclosed an optically active compound represented by the general formula: ##STR1## wherein n, R.sub.1, R.sub.2, R.sub.3, R.sub.4, Q.sub.1, Q.sub.2, Q.sub.3, and M are defined as in the detailed explanation, and *-marked carbon atoms are each an asymmetric carbon atom; a liquid crystal composition comprising at least one optically active compound of said general formula and a liquid crystal optical modulator using the composition thereof.

  揭示了一种由通用公式表示的光学活性化合物：##STR1##其中n、R.sub.1、R.sub.2、R.sub.3、R.sub.4、Q.sub.1、Q.sub.2、Q.sub.3和M的定义如详细说明中所述，*标记的碳原子均为不对称碳原子；一种液晶组合物，包括至少一种符合上述通用公式的光学活性化合物；以及使用该组合物的液晶光调制器。
• Preparation of pentanediols from alkoxydihydropyrans
  申请人：——

  公开号：US06403845B1

  公开（公告）日：2002-06-11

  are prepared by single-stage reaction of alkoxydihydropyrans of the formula (II) with water and hydrogen in the presence of a catalyst comprising oxides of nickel, zirconium and copper. In the formulae (I) and (II), R, R′, R″, R′″ can be identical or different and are each hydrogen or a linear or branched saturated hydrocarbon radical having from 1 to 20 carbon atoms in which the hydrocarbon chain may contain O, S and N as heteroatoms and which may be monosubstituted or polysubstituted by hydroxy, thiol or amino groups or halogens.

  化合物（I）和（II）的公式中，R、R′、R″和R′″可以相同或不同，分别为氢或具有1至20个碳原子的线性或支链饱和碳氢基团，在碳氢链中可能含有O、S和N作为杂原子，并且可能被羟基、硫醇或氨基或卤素单取代或多取代。这些化合物是通过在镍、锆和铜的氧化物催化剂存在下，将公式（II）的烷氧基二氢吡喃与水和氢进行单阶段反应制备而成。
• Asymmetric syntheses
  申请人：Union Carbide Chemicals & Plastics Technology Corporation

  公开号：US05360938A1

  公开（公告）日：1994-11-01

  This invention relates to asymmetric syntheses in which a prochiral or chiral compound is contacted in the presence of an optically active metal-ligand complex catalyst to produce an optically active product.

  本发明涉及不对称合成，其中在存在手性金属配体催化剂的情况下，接触一个原手性或手性化合物，以产生一个手性产物。
• Time dependent administration of oligosaccharide glycosides related to
  申请人：Alberta Research Council

  公开号：US05646123A1

  公开（公告）日：1997-07-08

  Disclosed are methods for reducing the degree of antigen induced inflammation in a sensitized mammals. The disclosed methods employ oligosaccharide glycosides related to blood group determinants having a type I or type II core structure wherein the administration of such oligosaccharide glycosides is after initiation of the mammal's immune response but at or prior one-half the period of time required to effect maximal antigen-induced inflammation.

  本发明揭示了一种减少致敏哺乳动物抗原诱导炎症程度的方法。所揭示的方法采用与血型决定因子相关的寡糖糖苷，其具有I型或II型核心结构，其中寡糖糖苷的给药是在哺乳动物免疫反应开始后进行的，但在达到最大抗原诱导炎症所需时间的一半或之前进行的。
• Dye-based inks with improved vehicles
  申请人：——

  公开号：US04108671A1

  公开（公告）日：1978-08-22

  Dye-based inks include an improved organic vehicle consisting of the monoester of a dicarboxylic acid or anhydride with a monohydric or polyhydric alcohol. Because of the multiplicity of functional groups on the molecule, these vehicles show solvency characteristics for a wide variety of dye structures, including basic dyes, basic dye bases, and oil-soluble dyes.

  染料墨水包括改进的有机载体，由二羧酸或酐的单酯与单元或多元醇组成。由于分子上的多功能基团，这些载体表现出对各种染料结构的溶解性特征，包括碱性染料、碱性染料基和油溶性染料。