(+)(S)-1-环己基丙醇-(2) | 140145-83-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: (+)(S)-1-环己基丙醇-(2)
• 英文名称: (S)-1-cyclohexylpropan-2-ol
• 英文别名: (+)(S)-1-cyclohexyl-propanol-(2)；(2S)-1-cyclohexylpropan-2-ol
• CAS: 140145-83-1
• 化学式: C₉H₁₈O
• mdl: MFCD28118530
• 分子量: 142.241
• InChiKey: HJUJYGDGYXVQCZ-QMMMGPOBSA-N

物化性质

• 沸点：
  203.3±8.0 °C(Predicted)
• 密度：
  0.897±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 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：

  (+)(S)-1-环己基丙醇-(2) 在 palladium on activated charcoal 氢气 、 对甲苯磺酸 作用下， 以 甲醇 、 苯 为溶剂， 生成 Methylamino-acetic acid (S)-2-cyclohexyl-1-methyl-ethyl ester
  参考文献：
  名称：

  Acyclic cyanamide-based inhibitors of cathepsin K

  摘要：

  Conversion of the proline-derived cyanamide lead to an acyclic cyanamide capable of forming an additional hydrogen bond with cathepsin K resulted in a large increase in inhibitory activity. An X-ray structure of a co-crystal of a cyanamide with cathepsin K confirmed the enzyme interaction. Furthermore, a representative acyclic cyanamide inhibitor 6r was able to attenuate bone resorption in the rat calvarial model.

  DOI：

  10.1016/j.bmcl.2005.04.032
• 作为产物：
  描述：

  在 双氧水 、 sodium hydroxide 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 生成 (+)(S)-1-环己基丙醇-(2)
  参考文献：
  名称：

  STEREORETENTIVE CROSS-COUPLING OF BORONIC ACIDS

  摘要：

  本公开提供了经过电学和立体调节的三正烷基苯基膦催化剂。还提供了使用该催化剂进行未活化的次硼酸与近乎完美的位点和立体保留进行交叉偶联的方法。

  公开号：

  US20180305381A1

文献信息

• Enantioselective Transfer Hydrogenation of Aliphatic Ketones Catalyzed by Ruthenium Complexes Linked to the Secondary Face of β-Cyclodextrin
  作者：Alain Schlatter、Wolf-D. Woggon

  DOI：10.1002/adsc.200700558

  日期：2008.5.5

  Ruthenium-η-arene complexes attached to the secondary face of β-cyclodextrin catalyze the enantioselective reduction (ee up to 98%) of aliphatic and aromatic ketones in aqueous medium in the presence of sodium formate (HCOONa).

  在甲酸钠（HCOONa）存在下，附着在β-环糊精第二面上的钌-η-芳烃络合物催化水性介质中脂肪族和芳香族酮的对映选择性还原（ee高达98％）。
• Stereoretentive cross-coupling of boronic acids
  申请人：The Board of Trustees of the University of Illinois

  公开号：US10370393B2

  公开（公告）日：2019-08-06

  The present disclosure provides tri-orthoalkylphenyl phosphine catalysts of formula I wherein A is CH2, C═O, or NRA; R1 is aryl, heteroaryl, isopropyl, tert-butyl, cycloalkyl, or heterocycloalkyl, wherein aryl, heteroaryl, cycloalkyl and heterocycloalkyl are optionally substituted; R2 is H, (C1-C8)alkyl, (C1-C8)alkoxy, N(RA)2, or an electron withdrawing group; and each RA is independently H or (C1-C8)alkyl; that are tuned electrically and sterically.

  本公开提供了式 I 的三正烷基苯基膦催化剂 其中，A 是 CH2、C═O 或 NRA；R1 是芳基、杂芳基、异丙基、叔丁基、环烷基或杂环烷基，其中芳基、杂芳基、环烷基和杂环烷基可选择被取代；R2 是 H、(C1-C8)烷基、(C1-C8)烷氧基、N(RA)2 或一个电子萃取基团；每个 RA 独立地是 H 或 (C1-C8)烷基；它们在电性和立体性上可调谐。
• Levene; Stevens, Journal of Biological Chemistry, 1930, vol. 89, p. 471,474
  作者：Levene、Stevens

  DOI：——

  日期：——
• Ketoheterocycle-based inhibitors of cathepsin K: A novel entry into the synthesis of peptidic ketoheterocycles
  作者：Francis X. Tavares、David N. Deaton、Aaron B. Miller、Larry R. Miller、Lois L. Wright

  DOI：10.1016/j.bmcl.2005.05.091

  日期：2005.9

  Ketoheterocyclic inhibitors of cathepsin K have been disclosed. SAR of potency enhancing P-2-P-3 groups coupled with ketoheterocyclic warheads to provide cathepsin K inhibitors have been described. In addition, a novel route to access alpha-ketothiazoles using a key thioamide functionality has been disclosed. The mild method employed allows for the presence of diverse functional groups, such as amide and carbamate functionalities, commonly found in protease inhibitors that have peptidomimetic scaffolds. This new method should provide a quick entry into functionally diverse protease inhibitors. (c) 2005 Elsevier Ltd. All rights reserved.
• Novel and potent cyclic cyanamide-based cathepsin K inhibitors
  作者：David N. Deaton、Anne M. Hassell、Robert B. McFadyen、Aaron B. Miller、Larry R. Miller、Lisa M. Shewchuk、Francis X. Tavares、Derril H. Willard、Lois L. Wright

  DOI：10.1016/j.bmcl.2005.02.033

  日期：2005.4

  Starting from a PDE IV inhibitor hit derived from high throughput screening of the compound collection, a key pyrrolidine cyanamide pharmacophore was identified. Modifications of the pyrrolidine ring produced enhancements in cathepsin K inhibition. An X-ray co-crystal structure of a cyanamide with cathepsin K confirmed the mode of inhibition.