1-pentafluoroethylnonan-1-ol | 121591-48-8

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 卤代醇
• 英文名称: 1-pentafluoroethylnonan-1-ol
• 英文别名: 1,1,1,2,2-Pentafluoroundecan-3-ol
• CAS: 121591-48-8
• 化学式: C₁₁H₁₉F₅O
• 分子量: 262.263
• InChiKey: LUPKINFGPHTYJZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  17
• 可旋转键数：
  8
• 环数：
  0.0
• 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：
  6

反应信息

• 作为反应物：
  描述：

  异丁酰氯 、 1-pentafluoroethylnonan-1-ol 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 15.0h， 以87%的产率得到1,1,1,2,2-pentafluoroundecan-3-yl 2-methylpropanoate
  参考文献：
  名称：

  The synthesis of optically active building blocks carrying an α, α-dihalogeno-β, β, β-trifluoroethyl group

  摘要：

  DOI：

  10.1016/s0022-1139(00)83963-9
• 作为产物：
  描述：

  正辛基镁溴盐 在 sodium tetrahydroborate 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 10.0h， 生成 1-pentafluoroethylnonan-1-ol
  参考文献：
  名称：

  The synthesis of optically active building blocks carrying an α, α-dihalogeno-β, β, β-trifluoroethyl group

  摘要：

  DOI：

  10.1016/s0022-1139(00)83963-9

文献信息

• Liquid crystal compounds
  申请人：Showa Shell Sekiyu Kabushiki Kaisha

  公开号：EP0327349A2

  公开（公告）日：1989-08-09

  Liquid crystal compounds represented by the formula; in which Ra means an alkyl group of 1 - 20 carbon m atoms or an alkoxy group of 1 - 20 carbon atoms; Rb means an aliphatic alkyl group, a branched alkyl group or an aralkyl group respectively of 1 - 20 carbon atoms, an alkoxy group of 1 -20 carbon atoms, or an alkanoyl methyl group having 1 - 20 carbon atoms in the alkyl; X means Y means Z means a fluorinated alkyl or a fluorinated haloalkyl; m is an integer of from 1 to 3; n is an integer of from 0 to 2 where when n is 0, Y is a single bond; and * shows an optically active center, which have a larger spontaneous polarization, high speed of response and good orientation, and show tristable liquid crystal phase.

  由以下式子表示的液晶化合物 其中，Ra 是指 1-20 个碳原子的烷基或 1-20 个碳原子的烷氧基；Rb 是指分别具有 1-20 个碳原子的脂肪族烷基、支链烷基或芳烷基、1-20 个碳原子的烷氧基或烷基中具有 1-20 个碳原子的烷酰基甲基；X 是指 Y 指 Z 指氟化烷基或氟化卤代烷基；m 为 1 至 3 的整数；n 为 0 至 2 的整数，其中当 n 为 0 时，Y 为单键；且 * 表示光学活性中心，具有较大的自发偏振、较高的响应速度和良好的取向性，并显示三稳态液晶相。
• Liquid crystal compound
  申请人：Showa Shell Sekiyu Kabushiki Kaisha

  公开号：EP0422996A2

  公开（公告）日：1991-04-17

  Liquid crystal compound of the formula wherein R1 and R2 each is a C1-18 alkyl group or an aralkyl group, R3 is a haloalkyl group, X is -0-, -CO-, -COO-or -OCO-, Y is -COO-, -OCO-, -CH20- or -OCH2-, Z is -COO-or -0-, (A) and (B) each is a cyclic group and p and ℓ each is zero or one.

  式中的液晶化合物 其中 R1 和 R2 各为 C1-18 烷基或芳烷基，R3 为卤代烷基，X 为 -0-、-CO-、-COO- 或 -OCO-，Y 为 -COO-、-OCO-、-CH20- 或 -OCH2-，Z 为 -COO- 或 -0-，(A) 和 (B) 各为环状基团，p 和 ℓ 各为 0 或 1。
• Process for producing optically active halogen-containing alcohol
  申请人：Showa Shell Sekiyu Kabushiki Kaisha

  公开号：EP0566485A2

  公开（公告）日：1993-10-20

  A process for producing an optically active halogen-containing alcohol having a high optical purity and represented by the following formula [I] wherein R1 is a halogen substituted alkyl group, R2 is a group selected from the group consisting of a substituted or unsubstituted alkyl group, alkene group, or alkyne group, and a substituted or unsubstituted phenyl group, and C having an asterisk indicates an asymmetric atom, is disclosed which process comprises subjecting a halogenated alkyl ester of a carboxylic acid represented by the following formula [II] wherein R1 and R2 are the same as mentioned above and R3 is a group selected from the group consisting of a substituted or unsubstituted alkyl group or alkene group, and a substituted or unsabstituted phenyl group, to asymmetric hydrolysis with an enzyme in an aqueous solution system, and the aqueous solution system may contain buffer solution and/or organic solvent.

  一种具有高光学纯度的光学活性含卤醇的生产工艺，由下式[I]表示 其中 R1 是卤素取代的烷基，R2 是选自取代或未取代的烷基、烯基或炔基和取代或未取代的苯基的基团，带有星号的 C 表示不对称原子、 本发明公开了一种工艺，该工艺包括将下式[Ⅱ]所代表的羧酸的卤代烷基酯 其中 R1 和 R2 与上述相同，R3 是选自取代或未取代的烷基或烯基和取代或未取代的苯基的基团、 在水溶液体系中用酶进行不对称水解，水溶液体系可包含缓冲溶液和/或有机溶剂。
• Process for preparing optically active halogen-containing alcohols
  申请人：Showa Shell Sekiyu Kabushiki Kaisha

  公开号：EP0577446A2

  公开（公告）日：1994-01-05

  Optically active, halogen-containing alcohols useful as intermediate of liquid crystal compounds are prepared in which an enzyme originated from microorganisms selected from the genera of Chromobacterium, Alcaligenes, Candida, Geotrichum, Humicola, Mucor, Penicillium, Rhizopus and Pseudomonas or an enzyme originated from wheat malt, such as wheat germ, is allowed to react, in organic solvents, with a racemic, halogen-containing alcohol of the formula [I] : wherein R1 is a halogen-containing alkyl group having 1 to 4 carbon atoms ; and R2 is a group selected from alkyl and aralkyl groups having 4 to 16 carbon atoms, substituted and unsubstituted aryl groups and -CH2-COO-R5 wherein R5 is an alkyl or aralkyl group having 2 to 16 carbon atoms, and a vinyl ester of the formula [II] : wherein R3 is an alkyl, substituted alkyl or alkenyl group having 1 to 11 carbon atoms ; and R4 is a substituted or unsubstituted vinyl group having 2 to 4 carbon atoms, until the corresponding (S)-type or (R)-type isomer of the compound [I] is obtained.

  制备具有光学活性的、可用作液晶化合物中间体的含卤素的醇，在此过程中，一种来自选自Chromobacterium、Alcaligenes、Candida、Geotrichum、Humicola、Mucor、Penicillium、Rhizopus和Pseudomonas属的微生物的酶，或一种来自小麦麦芽（如小麦胚芽）的酶，可以在有机溶剂中与式[I]的外消旋含卤素的醇反应： 其中 R1 是具有 1 至 4 个碳原子的含卤烷基；R2 是选自具有 4 至 16 个碳原子的烷基和芳烷基、取代和未取代的芳基和 -CH2-COO-R5 （其中 R5 是具有 2 至 16 个碳原子的烷基或芳烷基）的基团，以及式 [II] 的乙烯基酯： 其中 R3 是具有 1 至 11 个碳原子的烷基、取代的烷基或烯基；R4 是具有 2 至 4 个碳原子的取代或未取代的乙烯基，直至得到化合物[I]的相应 (S) 型或 (R) 型异构体。
• KITAZUME, TOMOYA;OHNOGI, TAKESHI;LIN, JENQ TAIN;YAMAZAKI, TAKASHI, J. FLUOR. CHEM., 42,(1989) N, C. 17-19
  作者：KITAZUME, TOMOYA、OHNOGI, TAKESHI、LIN, JENQ TAIN、YAMAZAKI, TAKASHI

  DOI：——

  日期：——