4-cyano-4'-(2''-methylpentyl)biphenyl | 64434-57-7

• 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: 4-cyano-4'-(2''-methylpentyl)biphenyl
• 英文别名: 4'-(2-Methyl-pentyl)-biphenyl-4-carbonitrile；4-[4-(2-methylpentyl)phenyl]benzonitrile
• CAS: 64434-57-7
• 化学式: C₁₉H₂₁N
• 分子量: 263.382
• InChiKey: MHZDCLRFPGEVML-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  2-甲基戊酰氯 在 三氯化铝 lithium aluminium tetrahydride 、 三氯化铝 作用下， 生成 4-cyano-4'-(2''-methylpentyl)biphenyl
  参考文献：
  名称：

  Mesomorphic Transition Temperatures and Viscosities for Some Cyano-biphenyls and -p-terphenyls with Branched Terminal Alkyl Groups

  摘要：

  DOI：

  10.1080/00268948408070435

文献信息

• LIQUID CRYSTAL COMPOUND HAVING CHLORONAPHTHALENE MOIETY, LIQUID CRYSTAL COMPOSITION, AND OPTICAL DEVICE
  申请人：HASEBA Yasuhiro

  公开号：US20090065739A1

  公开（公告）日：2009-03-12

  A compound represented by formula (1): wherein R 1 is hydrogen or alkyl having 1 to 20 carbons, in which in the alkyl, arbitrary —CH 2 — may be replaced by —O—, —S—, —COO—, —CH═CH— or —C≡C—, and arbitrary hydrogen may be replaced by halogen or alkyl having 1 to 3 carbons; ring A 1 , ring A 2 , ring A 3 , ring A 4 and ring A 5 are each independently a benzene ring, a piperidine ring, a tetrahydropyrane ring or a dioxane ring, in which in the rings, arbitrary hydrogen may be replaced by halogen, alkyl having 1 to 3 carbons, alkoxy having 1 to 3 carbons or halogenated alkyl having 1 to 3 carbons, and —CH═ may be replaced by —N═; Z 1 , Z 2 , Z 4 , Z 5 and Z 6 are each independently a single bond, —COO— or —CF 2 O—; Z 3 is a single bond or —CF 2 O—, and in the case where Z 3 is a single bond, ring A 3 is a ring represented by formula (RG-5), or L 1 and L 2 are both fluorine, or at least one of Z 1 , Z 2 , Z 4 , Z 5 and Z 6 is —CF 2 O—; L 1 , L 2 , L 3 and L 4 are each independently hydrogen or halogen; X 1 is hydrogen, halogen, —C≡N, —N═C═S, —C≡C—C≡N, —SF 5 or alkyl having 1 to 10 carbons, in which in the alkyl, arbitrary —CH 2 — may be replaced by —O—, —S—, —CH═CH— or —C≡C—, and arbitrary hydrogen may be replaced by halogen; and 1, m, n, o and p are each independently 0 or 1, provided that l+m+n+o+p≦4:

  化合物的化学式为(1):其中R1是氢原子或具有1至20个碳的烷基，其中在烷基中，任意的—CH2—可以被—O—，—S—，—COO—，—CH═CH—或—C≡C—所取代，并且任意的氢可以被卤素或具有1至3个碳的烷基所取代；环A1，环A2，环A3，环A4和环A5分别独立地是苯环，哌啶环，四氢吡喃环或二噁烷环，在环中，任意的氢可以被卤素，具有1至3个碳的烷基，具有1至3个碳的烷氧基或卤代的具有1至3个碳的烷基所取代，而—CH═可以被—N═所取代；Z1，Z2，Z4，Z5和Z6分别独立地是单键，—COO—或—CF2O—；Z3是单键或—CF2O—，在Z3为单键的情况下，环A3是由(RG-5)式所表示的环，或L1和L2都是氟原子，或Z1，Z2，Z4，Z5和Z6中至少有一个是—CF2O—;L1，L2，L3和L4分别独立地是氢原子或卤素；X1是氢原子，卤素，—C≡N，—N═C═S，—C≡C—C≡N，—SF5或具有1至10个碳的烷基，在烷基中，任意的—CH2—可以被—O—，—S—，—CH═CH—或—C≡C—所取代，并且任意的氢可以被卤素所取代；而1，m，n，o和p独立地为0或1，但要求l+m+n+o+p≦4。
• CHLOROFLUOROBENZENE COMPOUND, OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM, AND OPTICAL DEVICE
  申请人：Yasuhiro Haseba

  公开号：US20100296029A1

  公开（公告）日：2010-11-25

  A liquid crystal compound and a liquid crystal medium are described. The liquid crystal compound is stable to heat and light and has a large dielectric anisotropy and a large optical anisotropy. The liquid crystal medium has a wide temperature range of liquid crystal phase, a large optical anisotropy and a large dielectric anisotropy, and exhibits an optically isotropic liquid crystal phase. The liquid crystal compound has 4 or 5 benzene rings, one of which is a chlorofluorobenzene ring. The liquid crystal medium is characterized in containing the liquid crystal compound and a chiral dopant and exhibiting an optically isotropic liquid crystal phase.

  本文描述了一种液晶化合物和液晶介质。该液晶化合物对热和光稳定，并具有大的介电各向异性和大的光学各向异性。液晶介质具有广泛的液晶相温度范围，大的光学各向异性和大的介电各向异性，并表现出光学各向同性的液晶相。液晶化合物具有4或5个苯环，其中一个是氯氟苯环。液晶介质的特点在于含有液晶化合物和手性掺杂剂，并表现出光学各向同性的液晶相。
• OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM AND OPTICAL DEVICE
  申请人：HASEBA YASUHIRO

  公开号：US20090051855A1

  公开（公告）日：2009-02-26

  A liquid crystal medium is described, having a wide temperature range of a liquid crystal phase, a large optical anisotropy and a large dielectric anisotropy, and exhibiting an optically isotropic liquid crystal phase. The liquid crystal medium features including a chiral dopant and a liquid crystal compound with chloronaphthalene ring and exhibiting an optically isotropic liquid crystal phase.

  描述了一种液晶介质，具有广泛的液晶相温度范围、大的光学各向异性和大的介电各向异性，并呈现出光学各向同性的液晶相。该液晶介质包括手性掺杂剂和具有氯萘环的液晶化合物，并呈现出光学各向同性的液晶相。
• Liquid Crystal Compound Having Lactone Ring, Liquid Crystal Composition, And Liquid Crystal Display Device
  申请人：GOTO Mayumi

  公开号：US20100038588A1

  公开（公告）日：2010-02-18

  A nematic liquid crystal compound represented by any one of formulas (a-1) to (a-6): in formulas (a-1) to (a-6), Ra and Rb are each independently hydrogen or alkyl having 1 to 10 carbons, provided that in the alkyl, —CH2- may be replaced by —O—, —(CH2)2- may be replaced by —CH═CH—, and hydrogen may be replaced by a halogen; ring A1 and ring A2 are each independently trans-1,4-cyclohexylene or 1,4-phenylene, provided that in these rings hydrogen may be replaced by a halogen, and in the case where the ring is trans-1,4-cyclohexylene, —CH2- may be replaced by —O—, and —CH2CH— may be replaced by —CH═C—; and Z1 and Z2 are each independently a single bond, —COO—, —OCO—, —OCH2-, —CH2O— or —CH2CH2-, provided that in formula (a-3), in the case where ring A2 is trans-1,4-cyclohexylene, Z2 is a single bond, —COO—, —OCO—, —OCH2- or —CH2O—, in the case where Ra is —C3H7, Rb is —OC2H5, and Z2 is a single bond, ring A2 is trans-1,4-cyclohexylene, 1,3-dioxane-2,5-diyl, 2-fluoro- 1,4 -phenylene, 3-fluoro-1,4-phenylene, 2-fluoro-3-chloro-1,4-phenylene, 2-chloro- 3 -fluoro-3,4-phenylene or 2,3-dichloro-1,4-phenylene, and in formula (a-4), in the case where ring A1 is trans-1,4-cyclohexylene, Z1 is a single bond, —COO—, —OCO—, —OCH2- or —CH2O—.

  任意一种由公式(a-1)到(a-6)中的任意一种表示的向列相液晶化合物:在公式(a-1)到(a-6)中，Ra和Rb分别独立地表示氢或具有1到10个碳的烷基，但在烷基中，—CH2-可以被—O—替换，—(CH2)2-可以被—CH═CH—替换，并且氢可以被卤素替换;环A1和环A2分别独立地表示反式1,4-环己烯基或1,4-苯基，但在这些环中氢可以被卤素替换，在环为反式1,4-环己烯基的情况下，—CH2-可以被—O—替换，—CH2CH—可以被—CH═C—替换;Z1和Z2分别独立地表示单键、—COO—、—OCO—、—OCH2-、—CH2O—或—CH2CH2-，但在公式(a-3)中，在环A2为反式1,4-环己烯基的情况下，Z2为单键、—COO—、—OCO—、—OCH2-或—CH2O—，在Ra为—C3H7，Rb为—OC2H5，Z2为单键，环A2为反式1,4-环己烯基，1,3-二氧杂环戊烷-2,5-二基，2-氟-1,4-苯基，3-氟-1,4-苯基，2-氟-3-氯-1,4-苯基，2,3-二氯-1,4-苯基，在公式(a-4)中，在环A1为反式1,4-环己烯基的情况下，Z1为单键、—COO—、—OCO—、—OCH2-或—CH2O—。
• LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE
  申请人：Kobayashi Masahide

  公开号：US20120018672A1

  公开（公告）日：2012-01-26

  The invention provides a liquid crystal compound having a high stability to heat, light or the like, a wide temperature range of a nematic phase, a small viscosity, a large optical anisotropy and a suitable elastic constant K 33 , and further having a suitable negative dielectric anisotropy and an excellent compatibility with other liquid crystal compounds. The invention also provides a liquid crystal composition including this liquid crystal compound and a liquid crystal display device containing this liquid crystal composition. A liquid crystal compound represented by formula (a): For example, Ra and Rb are alkyl having 1 to 10 carbons, alkenyl having 2 to 10 carbons or alkoxy having 1 to 9 carbons; the ring A 1 and the ring A 2 are 1,4-phenylene or trans-1,4-cyclohexylene; L 1 , L 2 , L 3 and L 4 are hydrogen or fluorine, and at least three of them are fluorine; and Z 1 and Z 2 are a single bond, —(CH 2 ) 2 —, —CH═CH—, —CH 2 O— or —OCH 2 —.

  该发明提供了一种液晶化合物，具有高稳定性，能够抵抗热、光等因素的影响，具有广泛的向列相温度范围、小的粘度、大的光学各向异性和适当的弹性常数K33，进一步具有适当的负介电各向异性和与其他液晶化合物的良好兼容性。该发明还提供了一种包括该液晶化合物的液晶组合物和包含该液晶组合物的液晶显示器件。 液晶化合物由式（a）表示： 例如，Ra和Rb是具有1到10个碳原子的烷基，具有2到10个碳原子的烯基或具有1到9个碳原子的烷氧基；环A1和环A2是1,4-苯撑基或反-1,4-环己撑基；L1、L2、L3和L4是氢或氟，其中至少有三个是氟；Z1和Z2是单键，—(CH2)2—、—CH═CH—、—CH2O—或—OCH2—。