4-(3-hydroxy-3,3-dimethyl-1-propynyl)-3-fluoro-1-bromobenzene | 190649-28-6

• 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: 4-(3-hydroxy-3,3-dimethyl-1-propynyl)-3-fluoro-1-bromobenzene
• 英文别名: 4-(4-bromo-2-fluorophenyl)-2-methylbut-3-yn-2-ol
• CAS: 190649-28-6
• 化学式: C₁₁H₁₀BrFO
• 分子量: 257.102
• InChiKey: LIHGRTVNTUMFNY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (E)-pent-1-en-1-yl-1,3,2-benzodioxaborole 、 4-(3-hydroxy-3,3-dimethyl-1-propynyl)-3-fluoro-1-bromobenzene 、 bis(triphenylphosphine)palladium(II) dichloride 在 N-甲基吡咯烷酮 、 sodium hydroxide 、 双氧水 作用下， 以 四氢呋喃 为溶剂， 以84%的产率得到4-(3-hydroxy-3,3-dimethyl-1-propynyl)-1-(1-trans-pentenyl)-3-fluorobenzene
  参考文献：
  名称：

  Diphenylacetylene compound, process for preparing the same and liquid

  摘要：

  一种二苯基炔化合物，其化学式为[1]: ##STR1## 其中，R为C1-C12烷基、C2-C12烯基或C2-C16氧烷基；X1、X2、X3、X4、Y1、Y2、Y3和Y4各自独立为--CH--基团、--CF--基团或氮原子；A为氢原子、氟原子、三氟甲基、三氟甲氧基、氰基、4-R1-(环烷基)基团、4-R1-(环烯基)基团或R1--(O)m基团，其中R1为C1-C12烷基、C2-C12烯基或C2-C12炔基；m为0或1，具有优异的折射率各向异性和低粘度，可用作液晶组合物的组分。

  公开号：

  US05658489A1

文献信息

• Diphenylacetylene compound, process for preparing the same and liquid
  申请人：Sumitomo Chemical Company, Limited

  公开号：US05658489A1

  公开（公告）日：1997-08-19

  A diphenylacetylene compound of the formula [1]: ##STR1## wherein R is a C.sub.1 -C.sub.12 alkyl group, a C.sub.2 -C.sub.12 alkenyl group or a C.sub.2 -C.sub.16 alkoxyalkyl group; X.sup.1, X.sup.2, X.sup.3, X.sup.4, Y.sup.1, Y.sup.2, Y.sup.3 and Y.sup.4 are independently from each other a --CH-- group, a --CF-- group or a nitrogen atom; A is a hydrogen atom, a fluorine atom, a trifluoromethyl group, a trifluoromethoxy group, a cyano group, a 4-R.sup.1 -(cycloalkyl) group, 4-R.sup.1 -(cycloalkenyl) group or a R.sup.1 --(O).sub.m group in which R.sup.1 is a C.sub.1 -C.sub.12 alkyl group, a C.sub.2 -C.sub.12 alkenyl group or a C.sub.2 -C.sub.12 alkynyl group; and m is 0 or 1, which has an excellent anisotropy of refractive index and a low viscosity and is useful as a component of a liquid crystal composition.

  一种二苯基炔化合物，其化学式为[1]: ##STR1## 其中，R为C1-C12烷基、C2-C12烯基或C2-C16氧烷基；X1、X2、X3、X4、Y1、Y2、Y3和Y4各自独立为--CH--基团、--CF--基团或氮原子；A为氢原子、氟原子、三氟甲基、三氟甲氧基、氰基、4-R1-(环烷基)基团、4-R1-(环烯基)基团或R1--(O)m基团，其中R1为C1-C12烷基、C2-C12烯基或C2-C12炔基；m为0或1，具有优异的折射率各向异性和低粘度，可用作液晶组合物的组分。
• Use of compounds for the elevation of pyruvate dehydrogenase activity
  申请人：ZENECA LIMITED

  公开号：US20040009979A1

  公开（公告）日：2004-01-15

  The use of compounds of formula (I), and salts thereof; and pharmaceutically acceptable in vivo cleavable prodrugs of said compound of formula (I); and pharmaceutically acceptable salts of said compound or said prodrugs; in formula (I), Ring C is phenyl or a carbon linked heteroaryl ring substituted as defined within; R 1 is an ortho substituent as defined within; n is 1 or 2; A-B is a linking group as defined within; R 2 and R 3 are as defined within; R 4 is hydroxy, hydrogen, halo, amino or methyl; in the manufacture of a medicament for use in the elevation of PDH activity in warm-blooded animals such as humans is described. Pharmaceutical compositions, methods and processes for preparation of compounds of formula (I) are also described. 1

  使用式(I)的化合物及其盐；以及该式(I)化合物的药物可接受的体内可裂解的前药；该化合物或前药的药物可接受的盐；在式(I)中，环C是苯或被定义内取代的碳链杂环；R1是被定义内的邻位取代基；n为1或2；A-B是被定义内的连接基；R2和R3如被定义内；R4为羟基、氢、卤、氨基或甲基；用于制造用于提高温血动物如人类的PDH活性的药物。还描述了制备式(I)化合物的药物组合物、方法和过程。
• Diphenylacetylene compound, process for preparing the same and liquid crystal composition and element comprising the same
  申请人：SUMITOMO CHEMICAL COMPANY LIMITED

  公开号：EP0648723A1

  公开（公告）日：1995-04-19

  A diphenylacetylene compound of the formula [1]: wherein R is a C₁-C₁₂ alkyl group, a C₂-C₁₂ alkenyl group or a C₂-C₁₆ alkoxyalkyl group; X¹, X², X³, X⁴, Y¹, Y², Y³ and Y⁴ are independently from each other a -CH- group, a -CF- group or a nitrogen atom; A is a hydrogen atom, a fluorine atom, a trifluoromethyl group, a trifluoromethoxy group, a cyano group, a 4-R¹-(cycloalkyl) group, 4-R¹-(cycloalkenyl) group or a R¹-(O)m group in which R¹ is a C₁-C₁₂ alkyl group, a C₂-C₁₂ alkenyl group or a C₂-C₁₂ alkynyl group; and m is 0 or 1, which has an excellent anisotropy of refractive index and a low viscosity and is useful as a component of a liquid crystal composition.

  式 [1] 的二苯基乙炔化合物： 其中 R 是 C₁-C₁₂ 烷基、C₂-C₁₂ 烯基或 C₂-C₁₆ 烷氧基烷基；X¹、X²、X³、X⁴、Y¹、Y²、Y³ 和 Y⁴ 相互独立地为-CH-基团、-CF-基团或氮原子；A 是氢原子、氟原子、三氟甲基、三氟甲氧基、氰基、4-R¹-（环烷基）基团、其中 R¹ 是 C₁-C₁₂ 烷基、C₂-C₁₂ 烯基或 C₂-C₁₂ 烷基；且 m 为 0 或 1，具有优异的折射率各向异性和低粘度，可用作液晶组合物的成分。
• LIQUID CRYSTAL COMPOUND HAVING CF2O BONDING GROUP AND TOLANE BACKBONE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT
  申请人：JNC Corporation

  公开号：EP3156388A1

  公开（公告）日：2017-04-19

  To provide a liquid crystal compound satisfying at least one of physical properties such as high chemical stability, a high clearing point, a low minimum temperature of a liquid crystal phase, low viscosity, large optical anisotropy, large dielectric anisotropy, a suitable elastic constant and excellent compatibility with other liquid crystal compounds, a liquid crystal composition containing the compound and a liquid crystal display device including the composition. A compound is represented by formula (1). In formula (1), for example, R1 is alkyl having 1 to 15 carbons; ring A1, ring A2 and ring A3 are independently 1,4-phenylene, 2-halogeno-1,4-phenylene or 2,6-dihalogeno-1,4-phenylene; Z1 and Z2 are independently a single bond or -C≡C-, but at least one is -C≡C-; L1 is halogen, -OCF3 or -CF3; L2 and L3 are independently hydrogen or halogen, but at least one is halogen; and m and n are independently 0, 1 or 2, and a sum of m and n is 1 or 2.

  目的：提供一种液晶化合物，该化合物至少满足以下物理特性中的一项：化学稳定性高、清澈点高、液晶相最低温度低、粘度低、光学各向异性大、介电各向异性大、弹性常数合适以及与其他液晶化合物的兼容性好；提供一种含有该化合物的液晶组合物和一种包括该组合物的液晶显示设备。 一种化合物用式（1）表示。 例如，在式 (1) 中，R1 是具有 1 至 15 个碳原子的烷基；环 A1、环 A2 和环 A3 独立地是 1,4-亚苯基、2-卤代-1,4-亚苯基或 2,6-二卤代-1,4-亚苯基；Z1 和 Z2 独立地为单键或-C≡C-，但至少有一个为-C≡C-；L1 为卤素、-OCF3 或-CF3；L2 和 L3 独立地为氢或卤素，但至少有一个为卤素；以及 m 和 n 独立地为 0、1 或 2，m 和 n 之和为 1 或 2。
• Liquid crystal composition containing a five-membered heterocyclic ring, reverse-mode polymer dispersed liquid crystal element, and associated selectively dimmable device
  申请人：NITTO DENKO CORPORATION

  公开号：US11149203B2

  公开（公告）日：2021-10-19

  Described herein are liquid crystal compositions containing a five-member heterocyclic ring that can allow for the adjustment of their refractive indices under the application of an electric field. In addition, selectively dimmable reverse-mode polymer dispersed liquid crystal elements and devices using the aforementioned compositions are also described, which are transparent when no voltage is applied and opaque when a voltage is applied.

  本文描述了含有五元杂环的液晶组合物，在施加电场的情况下可调节其折射率。此外，还描述了使用上述组合物的选择性可调光反向模式聚合物分散液晶元件和器件，它们在不施加电压时是透明的，而在施加电压时是不透明的。