6-n-propyl-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone | 315229-04-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 6-n-propyl-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone
• 英文别名: 6-propyl-4,4a,5,6,7,8-hexahydronaphthalene-2(3H)-one；6-propyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one
• CAS: 315229-04-0
• 化学式: C₁₃H₂₀O
• 分子量: 192.301
• InChiKey: WDILMPMAXGNRCS-UHFFFAOYSA-N

物化性质

• 沸点：
  309.7±9.0 °C(Predicted)
• 密度：
  0.97±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  6-n-propyl-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone 在 氨 、 lithium 、 氯化铵 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 0.5h， 生成 6-propyl-trans-decahydro-2-naphthalenone
  参考文献：
  名称：

  DECAHYDRONAPHTHALENE COMPOUNDS, LIQUID CRYSTAL COMPOSITIONS CONTAINING THE COMPOUNDS, AND LIQUID CRYSTAL DISPLAY DEVICES CONTAINING THE LIQUID CRYSTAL COMPOSITIONS

  摘要：

  公开号：

  EP2468707B1
• 作为产物：
  描述：

  4-丙基环己基酮 在 sodium methylate 作用下， 以 甲醇 、 甲苯 为溶剂， 反应 7.75h， 生成 6-n-propyl-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone
  参考文献：
  名称：

  DECAHYDRONAPHTHALENE COMPOUNDS, LIQUID CRYSTAL COMPOSITIONS CONTAINING THE COMPOUNDS, AND LIQUID CRYSTAL DISPLAY DEVICES CONTAINING THE LIQUID CRYSTAL COMPOSITIONS

  摘要：

  公开号：

  EP2468707B1
• 作为试剂：
  描述：

  、 甲苯 、 丁烯酮 、 sodium acetate 、 溶剂黄146 在 水 、 Sodium sulfate-III 、 6-n-propyl-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone 作用下， 以 水 为溶剂， 反应 25.0h， 以to obtain 320 g of a crude product of 6-propyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one的产率得到6-n-propyl-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone
  参考文献：
  名称：

  Compound having tetrahydronaphthalene skeleton and liquid crystal composition containing same

  摘要：

  一种由通式(I)表示的四氢萘衍生物及其所含的液晶组合物。通式(I)所表示的化合物具有优越的液晶性和与传统液晶化合物和组合物的共溶性。此外，添加这种化合物可以显著降低阈值电压，几乎不会对响应性产生不良影响。此外，本发明的化合物也可以在工业上轻松生产，无色，化学稳定。因此，含有这种化合物的液晶组合物非常有用作为液晶，特别适用于需要广泛操作温度范围、低电压驱动和高响应速度的液晶显示器。

  公开号：

  US06746728B1

文献信息

• DECAHYDRONAPHTHALENE COMPOUND, LIQUID CRYSTAL COMPOSITION INCLUDING THE COMPOUND AND LIQUID CRYSTAL DISPLAY DEVICE CONTAINING THE LIQUID CRYSTAL COMPOSITION
  申请人：Masukawa Tokifumi

  公开号：US20120145959A1

  公开（公告）日：2012-06-14

  A compound represented by the formula (1) is provided. In the formula (1), for example, R 1 and R 2 are alkyl having 1 to 10 carbons, alkoxy having 1 to 9 carbons or alkenyl having 2 to 10 carbons; the ring A and the ring B are 1,4-cyclohexylene or 1,4-phenylene; Z 1 and Z 2 are a single bond and Z 3 is —CH 2 O— or —OCH 2 —; Y 1 and Y 2 are halogen, —CF 3 , —CHF 2 , —CH 2 F, —OCF 3 , —OCHF 2 or —OCH 2 F; and m and n is 0, 1 or 2, p is 1 or 2, and the sum of m, n and p is 1, 2 or 3.

  提供了一个由式（1）表示的化合物。在式（1）中，例如，R1和R2是具有1至10个碳的烷基，具有1至9个碳的烷氧基或具有2至10个碳的烯基；环A和环B是1,4-环己基或1,4-苯基；Z1和Z2是单键，Z3是—CH2O—或—OCH2—；Y1和Y2是卤素，—CF3，—CHF2，—CH2F，—OCF3，—OCHF2或—OCH2F；m和n为0、1或2，p为1或2，m、n和p的总和为1、2或3。
• DECAHYDRONAPHTHALENE COMPOUNDS, LIQUID CRYSTAL COMPOSITIONS CONTAINING THE COMPOUNDS, AND LIQUID CRYSTAL DISPLAY ELEMENTS CONTAINING THE LIQUID CRYSTAL COMPOSITIONS
  申请人：JNC Corporation

  公开号：EP2468707A1

  公开（公告）日：2012-06-27

  Subject The subject is to provide a liquid crystal compound not only having a large negative dielectric anisotropy (Δε) and a high maximum temperature of a nematic phase (TNI), but also having at least one of characteristics such as stability to heat, light or the like, a suitable refractive index anisotropy (Δn) and an excellent compatibility with other liquid crystal compounds. Means for Solving the Subject The invention provides a compound represented by the formula (1). In the formula (1), for example, R1 and R2 are alkyl having 1 to 10 carbons, alkoxy having 1 to 9 carbons or alkenyl having 2 to 10 carbons; the ring A and the ring B are 1,4-cyclohexylene or 1,4-phenylene; Z1 and Z2 are a single bond and Z3 is -CH2O- or -OCH2 -; Y1 and Y2 are halogen, -CF3, -CHF2, -CH2F, -OCF3, -OCHF2 or -OCH2F; and m and n is 0, 1 or 2, p is 1 or 2, and the sum of m, n and p is 1, 2 or 3.

  主题 本课题旨在提供一种液晶化合物，该化合物不仅具有较大的负介电各向异性（Δε）和较高的向列相（TNI）最高温度，而且还具有对热、光或类似物的稳定性、适当的折射率各向异性（Δn）以及与其他液晶化合物的良好兼容性等特性中的至少一种。 解决本课题的方法 本发明提供了一种由式（1）表示的化合物。 例如，在式 (1) 中，R1 和 R2 是具有 1 至 10 个碳原子的烷基、具有 1 至 9 个碳原子的烷氧基或具有 2 至 10 个碳原子的烯基；环 A 和环 B 是 1,4-环己烯或 1,4-亚苯基；Z1和Z2为单键，Z3为-CH2O-或-OCH2-；Y1和Y2为卤素、-CF3、-CHF2、-CH2F、-OCF3、-OCHF2或-OCH2F；m和n为0、1或2，p为1或2，m、n和p之和为1、2或3。
• FUSED RING COMPOUND
  申请人：DAINIPPON INK AND CHEMICALS, INC.

  公开号：EP1201632B1

  公开（公告）日：2006-03-29
• COMPOUND HAVING TETRAHYDRONAPHTHALENE SKELETON AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME
  申请人：DAINIPPON INK AND CHEMICALS, INC.

  公开号：EP1191008B1

  公开（公告）日：2005-02-09
• Design, Synthesis and Physical Properties of New Liquid Crystal Materials Having a Fluoro-Substituted Tetrahydronaphthalene Structure for Active Matrix LCD
  作者：Tetsuo Kusumoto、Yoshitaka Saito、Yutaka Nagashima、Makoto Negishi、Sadao Takehara、Yoshinori Iwashita、Kiyofumi Takeuchi、Haruyoshi Takatsu、Corneria Pithart、Rainer Frings、Artur Lachowicz、Gerwald Grahe

  DOI：10.1080/15421400490434973

  日期：2004.1

  Liquid crystal materials having a fluoro-substituted tetralhydro-naphthalene structure were designed for active matrix LCD. 6-Aryl-5-fluoro-1,2,3,4-tetrahydronaphthalenes and 5,6-difluro-1,2,3,4-tetrahydronaphthalenes were prepared by regioselective fluorination and hydrogenation of 2-naphthols. 6-Aryl-5,7-difluoro-1,2,3,4-tetrahydronaphthalenes were synthesized from 5,7-difluoro-1,2,3,4-tetrahydronaphthalene-2-one. The liquid crystal mixture containing these compounds with very good co-solubility exhibits a wide nematic temperature range with low melting point and very large value of dielectric anisotropy. From these results these compounds are useful for design. of new liquid crystal mixtures for TFT-displays.