3-chloro-4-octyloxy benzoic acid | 124055-05-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-chloro-4-octyloxy benzoic acid
• 英文别名: 3-chloro-4-n-octyloxybenzoic acid；3-Chloro-4-octyloxybenzoic acid；3-chloro-4-octyloxy-benzoic acid；3-Chlor-4-octyloxy-benzoesaeure；3-Chloro-4-(octyloxy)benzoic acid；3-chloro-4-octoxybenzoic acid
• CAS: 124055-05-6
• 化学式: C₁₅H₂₁ClO₃
• 分子量: 284.783
• InChiKey: RUMWWHLGSZEETN-UHFFFAOYSA-N

物化性质

• 沸点：
  397.8±22.0 °C(Predicted)
• 密度：
  1.123±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  19
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-chloro-4-octyloxy benzoic acid 在 palladium on activated charcoal 4-二甲氨基吡啶 、 氢气 、 N,N'-二环己基碳二亚胺 作用下， 以 乙醇 、 氯仿 、 乙酸乙酯 为溶剂， 反应 48.0h， 生成 4-aminophenyl 3'-chloro-4'-n-octyloxybenzoate
  参考文献：
  名称：

  Search for the B Phase in an Achiral Non-symmetric Banana-Shaped Materials

  摘要：

  We synthesised a series of banana-shaped materials to search for the B phase in an achiral non-symmetric system. Almost compounds were found to exhibit the B phase, B1 and B2. Interestingly some compounds formed the classical mesophases which were observed in usual rod-like molecular system. In this paper we will report the synthesis and the mesophase properties of these materials.

  DOI：

  10.1080/15421400490435279
• 作为产物：
  描述：

  1-溴辛烷 、 3-氯-4-羟基苯甲酸 在 盐酸 、 sodium hydroxide 作用下， 以 水 为溶剂， 以18%的产率得到3-chloro-4-octyloxy benzoic acid
  参考文献：
  名称：

  Novel halogen-containing ester compounds, and their intermediates, and

  摘要：

  这项发明提供了一种新颖的含卤酯基化合物，其通式为(I)：##STR1##（其中R是烷基，A从单键、-O-、-COO-和-CO-中选择，X和Y均为卤素原子或X和Y中的一个为卤素原子另一个为氢原子，m和n分别为0或1，m+n=0或1，k和l分别为1或更多的整数，提供k

  公开号：

  US05098602A1

文献信息

• Novel halogen-containing ester compounds, and their intermediates, and
  申请人：Nippon Mining Co., Ltd.

  公开号：US05098602A1

  公开（公告）日：1992-03-24

  This invention provides a novel halogen-containing ester compound represented by the following general formula (I): ##STR1## (wherein R is an alkyl group, A is selected from a single bond, --O--, --COO-- and --CO--, both of X and Y are halogen atoms or either one of X and Y is a halogen atom and the other is a hydrogen atom, each of m and n is 0 or 1, m+n=0 or 1, each of k and l is an integer of 1 or more, provide k<l), a liquid crystal composition and a light switching element each containing the above compound as well as a novel fluorophenol compound represented by the following general formula (II): ##STR2## (wherein each of k and l is an integer of 1 or more, provided k<l) as an intermediate for the synthesis of the above ester compound and a method of producing the same.

  这项发明提供了一种新颖的含卤酯基化合物，其通式为(I)：##STR1##（其中R是烷基，A从单键、-O-、-COO-和-CO-中选择，X和Y均为卤素原子或X和Y中的一个为卤素原子另一个为氢原子，m和n分别为0或1，m+n=0或1，k和l分别为1或更多的整数，提供k
• Liquid crystal compounds having a fluoroether terminal portion
  申请人：Minnesota Mining and Manufacturing Company

  公开号：US05399291A1

  公开（公告）日：1995-03-21

  Fluorine-containing, chiral and achiral liquid crystal compounds comprise (a) an aliphatic fluorocarbon terminal portion comprising a perfluorinated or partially-fluorinated alkylene group and a terminal hydrocarbon alkyl group, the groups optionally containing at least one catenary ether oxygen atom; (b) an aliphatic hydrocarbon terminal portion; and (c) a central core connecting the terminal portions. The compounds have smectic mesophases or latent smectic mesophases and are useful, for example, in liquid crystal display devices.

  含氟、手性和非手性液晶化合物包括(a)一种脂肪族含氟碳末端部分，包括全氟化或部分氟化的烷基和末端的烃基烷基，这些基团可选地包含至少一个中间的醚氧原子; (b)一种脂肪族烃末端部分; 和(c)连接末端部分的中心核心。这些化合物具有液晶相或潜在的液晶相，并且例如在液晶显示装置中非常有用。
• Optically active substance and liquid crystal composition comprising same
  申请人：Mitsubishi Rayon Company Ltd.

  公开号：US05124069A1

  公开（公告）日：1992-06-23

  Disclosed is an optically active substance represented by the formula: ##STR1## wherein m is an integer of 1 to 14, Y is ##STR2## R is --C.sub.n H.sub.2n+1, --OC.sub.n H.sub.2n+1, --OCOC.sub.n H.sub.2n+1 or --COOC.sub.n H.sub.2n+1 (in which n is an integer of 1 to 18), each of the asterisked carbon atoms is an asymmetric carbon atom, X a single bond, --CO.sub.2 --, or --OCO--, and A.sub.1 and A.sub.2 is hydrogen, fluorine, chlorine, bromine, cyano or methoxy.

  本发明公开了一种光学活性物质，其化学式表示为：##STR1## 其中，m为1至14的整数，Y为##STR2## R为--C.sub.n H.sub.2n+1，--OC.sub.n H.sub.2n+1，--OCOC.sub.n H.sub.2n+1或--COOC.sub.n H.sub.2n+1（其中n为1至18的整数），每个星号标记的碳原子均为不对称碳原子，X为单键，--CO.sub.2 --或--OCO--，A.sub.1和A.sub.2为氢、氟、氯、溴、氰或甲氧基。
• Novel halogen-containing ester compounds, and their intermediates, and method of producing the same as well as liquid crystal compositions containing the same and light switching elements
  申请人：JAPAN ENERGY CORPORATION

  公开号：EP0341686A2

  公开（公告）日：1989-11-15

  This invention provides a novel halogen-­containing ester compound represented by the following general formula ( I ): (wherein R is an alkyl group, A is selected from a single bond, -O-, -COO- and -CO-, both of X and Y are halogen atoms or either one of X and Y is a halogen atom and the other is a hydrogen atom, each of m and n is 0 or 1, m+n=0 or 1, each of k and ℓ is an integer of 1 or more, provide k<ℓ), a liquid crystal composition and a light switching element each containing the above compound as well as a novel fluorophenol compound represented by the following general formula ( II ): (wherein each of k and ℓ is an integer of 1 or more, provided k<ℓ) as an intermediate for the synthesis of the above ester compound and a method of producing the same.

  本发明提供了一种新型含卤素酯化合物，由以下通式( I )表示： (其中 R 为烷基，A 选自单键、-O-、-COO- 和 -CO-，X 和 Y 均为卤素原子或 X 和 Y 中的一个为卤素原子而另一个为氢原子，m 和 n 中的每个均为 0 或 1，m+n=0 或 1、其中 k 和 ℓ 各为 1 或 1 以上的整数，提供 k<ℓ）、液晶组合物和光开关元件，每种组合物和光开关元件都含有上述化合物以及由下式通式 ( II ) 表示的新型氟苯酚化合物： (其中 k 和 ℓ 均为 1 或 1 以上的整数，条件是 k<ℓ）作为合成上述酯类化合物的中间体以及生产上述酯类化合物的方法。
• Achiral fluorine-containing liquid crystals
  申请人：MINNESOTA MINING AND MANUFACTURING COMPANY

  公开号：EP0360521A2

  公开（公告）日：1990-03-28

  Achiral fluorine-containing liquid crystal compounds are provided. The compounds comprise a fluorocarbon terminal portion and a hydrocarbon or another fluorocarbon terminal portion, the terminal portions being connected by a central core, the compounds having smectic mesophases or having latent smectic mesophases. The compounds are useful in liquid crystal display devices both alone and in mixtures with other materials. Also provided is a process for preparing these compounds.

  提供了手性含氟液晶化合物。这些化合物包括一个碳氟化合物终端部分和一个碳氢化合物或另一个碳氟化合物终端部分，终端部分由一个中心核连接，化合物具有共晶介相或潜在共晶介相。这些化合物可单独用于液晶显示设备，也可与其他材料混合使用。此外，还提供了制备这些化合物的工艺。