1,1,1-三氟-2-辛醇 | 453-43-0

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 卤代醇
• 中文名称: 1,1,1-三氟-2-辛醇
• 英文名称: 1,1,1-trifluoro-2-octanol
• 英文别名: 1-trifluoromethylheptyl alcohol；1,1,1-trifluorooctan-2-ol
• CAS: 453-43-0
• 化学式: C₈H₁₅F₃O
• 分子量: 184.202
• InChiKey: INAIBHXNHIEDAM-UHFFFAOYSA-N

物化性质

• 沸点：
  170 °C(lit.)
• 密度：
  1.05 g/mL at 25 °C(lit.)
• 闪点：
  164 °F

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  12
• 可旋转键数：
  5
• 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：
  4

安全信息

• TSCA：
  T
• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 安全说明：
  S23,S24/25
• 海关编码：
  2905590090

反应信息

• 作为反应物：
  描述：

  1,1,1-三氟-2-辛醇 在 吡啶 、 水 、 磷脂酶B 作用下， 以 乙醚 、 苯 为溶剂， 反应 12.0h， 生成 (R)-(+)-1,1,1-三氟-2-辛醇
  参考文献：
  名称：

  New Chiral Dopant Possessing High Twisting Power

  摘要：

  We have synthesized and investigated a new chiral dopant. It belongs to the derivatives of p-terphenyldicarboxylic acid and has twisting power in the smectic C* mixture much higher than any chiral compound of this series known before. The ferroelectric liquid crystal mixtures on the base of achiral SmC matrix and the new chiral dopant have been elaborated and there optical and electro-optical properties were investigated.

  DOI：

  10.1080/15421400903054667
• 作为产物：
  描述：

  1,1,1-trifluoro-2-octanone 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 2.0h， 生成 1,1,1-三氟-2-辛醇
  参考文献：
  名称：

  Efficient Synthesis of Optically Pure 1,1,1-Trifluoro-2-alkanols through Lipase-Catalyzed Acylation in Organic Media

  摘要：

  Lipase-catalyzed esterification was successfully utilized for the optical resolution of 1,1,1-trifluoro-2-alkanol 1 when racemic 1 was treated with lipase from Candida antarctica in hexane in the presence of molecular sieves (4 Angstrom) to provide the corresponding (S)-acetate 2 in an optically pure state. Alkanol 1 is known as an important component of liquid crystal compounds which display remarkable ferroelectric liquid crystal (FLC) characteristics. Five types of optically pure alkanols, i.e., 1,1,1-trifluoro-2-octanol (1a), 1,1,1-trifluoro-2-nonanol (1b), 1,1,1-trifluoro-2-decanol (1c), 1,1,1-trifluoro-2-undecanol (1d), and 1,1,1-trifluoro-8-(benzyloxy)-2-octanol (1e), were thus obtained by the lipase-catalyzed acylation.

  DOI：

  10.1021/jo951976a

文献信息

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

  公开号：US05891359A1

  公开（公告）日：1999-04-06

  The novel liquid crystal compounds of the present invention are represented by the following formulas \x9bI!-\x9bII! and have tristable molecular orientation states and can be used for display devices and electrooptical devices. ##STR1## wherein R.sub.1 represents an alkyl group of 5-18 carbon atoms; R.sub.2 represents an alkyl group of 6-16 carbon atoms; R.sub.3 represents an alkyl group of 8-18 carbon atoms; R.sub.4 represents an alkyl group of 6-14 carbon atoms; Y represents ##STR2## and * indicates an optically active center.

  本发明的新型液晶化合物由以下公式\x9bI!-\x9bII!表示，具有三态分子取向状态，可用于显示器件和电光器件。其中，R.sub.1代表5-18个碳原子的烷基基团；R.sub.2代表6-16个碳原子的烷基基团；R.sub.3代表8-18个碳原子的烷基基团；R.sub.4代表6-14个碳原子的烷基基团；Y代表##STR2##，*表示一个光学活性中心。
• Liquid crystal compounds
  申请人：Showa Shell Sekiyu Kabushiki Kaisha

  公开号：US05310500A1

  公开（公告）日：1994-05-10

  Antiferroelectric liquid crystal compounds are provided which have the formula ##STR1## wherein R.sub.1 represents an alkyl group having 5-18 carbon atoms, R.sub.2 represents an alkyl group having 6-16 carbon atoms, Y represents a group ##STR2## and A represents a group ##STR3##

  反铁电液晶化合物具有以下公式：其中R1代表一个含有5-18个碳原子的烷基团，R2代表一个含有6-16个碳原子的烷基团，Y代表一个基团，A代表一个基团。
• [EN] CHIRAL ALKOXY ALCOHOLS, CHIRAL 1 ,3-PHENYLENE-B?S[4-(4-ALKOXY) PHENYLIMINOMETHYL] BENZOATES AND PROCESSES FOR PREPARATION THEREOF<br/>[FR] ALCOOLS ALCOXY CHIRAUX, 1,3-PHENYLENE-BIS[4-(4-ALCOXY)PHENYLIMINOMETHYL]BENZOATES CHIRAUX ET PROCEDES DE PREPARATION CORRESPONDANTS
  申请人：DONGJIN SEMICHEM CO LTD

  公开号：WO2006025687A1

  公开（公告）日：2006-03-09

  The present invention relates to chiral alkoxy alcohols, chiral 1 ,3- phenylene bιs[4-(4-alkoxy)phenylιmιnomethyl]benzoates, and the preparation methods of them In particular, the chiral alkoxy alcohol of the present invention can be used for synthesizing chiral liquid crystal materials, pharmaceuticals, agricultural chemicals, and as intermediates for natural product synthesis Since the chiral compound of 1 ,3-phenylene bιs[4-(4-alkoxy)- phenylιmιnomethyl]benzoate has a lower phase transition temperature and exhibit ferroelectricity or antiferroelectricity depending on the length of chiral (alkoxy)alkyl terminal group, it can be used as an important component in the mixture of smectic liquid crystal

  本发明涉及手性烷氧基醇，手性1,3-苯基双[4-(4-烷氧基)苯基亚甲基]苯甲酸酯，以及它们的制备方法。特别是，本发明的手性烷氧基醇可用于合成手性液晶材料、药物、农药，并作为天然产物合成的中间体。由于1,3-苯基双[4-(4-烷氧基)苯基亚甲基]苯甲酸酯的手性化合物具有较低的相变温度，并根据手性(烷氧基)烷基末端基团的长度表现出铁电性或反铁电性，因此它可以作为莎美酸液晶混合物中的重要组分。
• Application of (S)-trifluorolactic acid for chiral derivatizing agent
  作者：Toshio Kubota、Jun Kanega、Toshimasa Katagiri

  DOI：10.1016/s0022-1139(99)00051-2

  日期：1999.7

  Optical purities of alcohols could be conveniently estimated by at least one of such analytical methods as GC, LC or after derivatization into the corresponding esters by reaction with chiral trifluorolactic acid. O-Alkylation of trifluorolactates was found to enhance the separation of isomers by GC and analyses.

  醇的光学纯度可通过至少一种分析方法如GC，LC或在与手性三氟乳酸反应衍生为相应的酯后方便地估计。发现三氟乳酸的O-烷基化通过GC和分析增强了异构体的分离。
• Partially fluorinated liquid crystal material
  申请人：——

  公开号：US20030017278A1

  公开（公告）日：2003-01-23

  The invention provides LC compositions that exhibit V-shaped switching when aligned in an analog device configuration and exhibit bistability when aligned in a bookshelf-type device configuration. The invention more specifically provides LC compositions of formula 1 and particularly chiral nonracemic compounds of formula 1 which exhibit bistable switching as well as V-shaped switching when aligned in appropriate device configurations. The invention also provides methods of using the compounds of the invention in making LC compositions and electooptical devices comprising an aligned layer of the compositions of this invention.

  该发明提供了LC组合物，当在类比设备配置中对齐时表现出V形开关，并且当在书架型设备配置中对齐时表现出双稳性。该发明更具体地提供了公式1的LC组合物，特别是公式1的手性非消旋化合物，当在适当的设备配置中对齐时表现出双稳性开关以及V形开关。该发明还提供了使用该发明中的化合物制备LC组合物和包括本发明组合物的对齐层的电光器件的方法。