3,7-dimethyldihydroisocoumarin | 74786-82-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 3,7-dimethyldihydroisocoumarin
• 英文别名: 3,7-dimethylisochroman-1-one；3,7-Dimethyl-3,4-dihydroisochromen-1-one
• CAS: 74786-82-6
• 化学式: C₁₁H₁₂O₂
• 分子量: 176.215
• InChiKey: GWRJNTINTSZDDB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3,8-Dimethyl-4,11-dioxa-tricyclo[6.2.1.0^1,6]undeca-5,9-diene 在 pyridinium chlorochromate 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以65%的产率得到3,7-dimethyldihydroisocoumarin
  参考文献：
  名称：

  Intramolecular Diels-Alder Reaction of Furans with Allenyl Ethers: High Effect of the Chain Length on the Structure and Reactivity of the Cycloadducts

  摘要：

  The structure and reactivity of the cycloadducts of the title reaction were found to be highly dependent on the chain length between the furan diene and the allenyl ether dienophile. Reaction of the propargyl ether (2) with t-BuOK in t-BuOH at 85-degrees-C for 3 h gave a mixture of the cycloadducts (3) and (4) in 90% yield, which were transferred to the benzo derivatives (5), (6) and (7). Treatment of the propargyl ether (8) with t-BuoK in t-BuOH at 85-degrees-C for 5 h gave the products (9) and (10) in a ratio of 8:1 in 65% yield, no detectable amount of the cycloadduct (8b) was obtained. Refluxing of the propargyl ether (13) with t-BuOK in t-BuOH at 85-degrees-C for 4 h gave the allenyl ether (14). Heating 14 in DMSO at 15-degrees-C for 12 h still did not give 15.

  DOI：

  10.3987/com-94-6675

文献信息

• LIQUID CRYSTAL COMPOUND HAVING BENZOPYRAN SKELETON, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE
  申请人：JNC CORPORATION

  公开号：US20180022998A1

  公开（公告）日：2018-01-25

  Shown are a liquid crystal compound satisfying at least one of physical properties such as high stability to heat and light, a high clearing point (or high maximum temperature), low minimum temperature of a liquid crystal phase, small viscosity, suitable optical anisotropy, large negative dielectric anisotropy, a suitable elastic constant and satisfactory 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), a liquid crystal composition contains the compound, or the like.

  所示的是一种液晶化合物，满足至少一种物理性质，如对热和光的高稳定性，高清晰点（或高最高温度），液晶相的低最低温度，小粘度，适当的光学各向异性，大负介电各向异性，适当的弹性常数以及与其他液晶化合物的良好兼容性，包含该化合物的液晶组合物以及包括该组合物的液晶显示装置。一种化合物由式（1）表示，液晶组合物含有该化合物，或类似的。
• LIQUID CRYSTAL COMPOUND HAVING BIPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE
  申请人：JNC Corporation

  公开号：US20180119009A1

  公开（公告）日：2018-05-03

  Provided are a liquid crystal compound satisfying at least one of physical properties such as high stability to heat or light, a high clearing point (or high maximum temperature), low minimum temperature of a liquid crystal phase, small viscosity, large optical anisotropy, large negative dielectric anisotropy, a suitable elastic constant and good 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): wherein, R 1 and R 2 are alkyl having 1 to 15 carbons; A 1 , A 2 , A 3 and A 4 are 1,4-cyclohexylene and 1,4-phenylene; Z 1 , Z 2 , Z 3 and Z 4 are a single bond; Y 1 , Y 2 and Y 3 are fluorine; and a, b, c and d are 0 or 1, and a sum of a, b, c and d is an integer from 0 to 3, or the like.

  提供的是一种液晶化合物，满足以下至少一种物理性质：对热或光稳定性高、高清晰点（或高最高温度）、液晶相的最低温度低、粘度小、光学各向异性大、负介电各向异性大、合适的弹性常数和与其他液晶化合物良好的兼容性，以及含有该化合物的液晶组合物和包括该组合物的液晶显示装置。一种化合物由以下式子表示：其中，R1和R2是具有1至15个碳的烷基；A1、A2、A3和A4是1,4-环己烯和1,4-苯基；Z1、Z2、Z3和Z4是单键；Y1、Y2和Y3是氟；a、b、c和d为0或1，且a、b、c和d的总和是从0到3的整数，或类似。
• DIHYDROPYRAN COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE
  申请人：JNC CORPORATION

  公开号：US20150252264A1

  公开（公告）日：2015-09-10

  To provide a liquid crystal compound satisfying at least one of physical properties such as high stability to ultraviolet light and heat, a high clearing point, low minimum temperature of a liquid crystal phase, small viscosity, suitable optical anisotropy, large dielectric anisotropy and excellent compatibility with other liquid crystal compounds, and a liquid crystal composition containing the compound, and a liquid crystal display device including the composition. The compound includes a compound represented by formula (1): wherein, R a and R b are alkyl or the like; A 1 , A 2 and A 3 are 1,4-cyclohexylene, 1,4-phenylene or the like; G is a divalent group represented by formula (pr-1) or (pr-2); wherein, Z 1 , Z 2 and Z 3 are a single bond, alkylene or the like; and a and b are 0, 1, 2 or 3, and a sum of a and b is 4 or less.

  提供一种液晶化合物，满足至少一种物理性质，如对紫外线和热的高稳定性、高清晰点、液晶相的最低温度低、小粘度、适当的光学各向异性、大介电各向异性以及与其他液晶化合物的良好相容性，并提供一种包含该化合物的液晶组合物和一种包括该组合物的液晶显示装置。该化合物包括式（1）所表示的化合物：其中，Ra和Rb是烷基或类似物；A1、A2和A3是1,4-环己烯基、1,4-苯基或类似物；G是由式（pr-1）或（pr-2）所表示的二价基团；其中，Z1、Z2和Z3是单键、烷基或类似物；a和b分别为0、1、2或3，a和b的总和小于等于4。
• COMPOUND HAVING ALKYL ON BENZENE RING, LIQUID CRYSTAL COMPOSITION HAVING THE COMPOUND, AND LIQUID CRYSTAL DISPLAY DEVICE HAVING THE LIQUID CRYSTAL COMPOSITION
  申请人：SASADA Yasuyuki

  公开号：US20090230356A1

  公开（公告）日：2009-09-17

  A compound represented by the following formula (1), a liquid crystal composition containing the compound and a liquid crystal display device containing the composition: all the symbols in the formula (1) are defined in the specification.

  以下是该公式(1)所代表的化合物、含有该化合物的液晶组合物和含有该组合物的液晶显示器件的简介：公式(1)中的所有符号都在说明书中定义。
• Liquid crystal compound, liquid crystal composition, and liquid crystal display device
  申请人：Sasada Yasuyuki

  公开号：US20070187644A1

  公开（公告）日：2007-08-16

  The invention is to provide such a liquid crystal compound that has general properties required for a liquid crystal compound, stability to heat, light and the like, a small viscosity, a suitable optical anisotropy, a negatively large dielectric anisotropy, a wide temperature range of a nematic phase, and favorable compatibility with other liquid crystal compounds, and a liquid crystal composition containing the compound. The invention provides a compound represented by Formula (1), wherein Ra and Rb are hydrogen or an alkyl having 1 to 20 carbon atoms; ring A 1 is 1,4-cyclohexylene, 1,4-phenylene, pyridine-2,5-diyl, pyridazine-3,6-diyl, decahydronaphthalene-2,6-diyl, 1,2,3,4-tetrahydronaphthalene-2,6-diyl, 5,6,7,8-tetrahydronaphthalene-2,6-diyl, or naphthalene-2,6-diyl; Z 1 is a single bond or an alkylene having 1 to 4 carbon atoms; Y 1 is hydrogen, halogen, —CN, —CF 3 , —CHF 2 , —CH 2 F, —OCF 3 , —OCHF 2 , or —OCH 2 F; and m is 1, 2, or 3:

  本发明旨在提供一种液晶化合物，具有液晶化合物所需的一般性质，对热、光等的稳定性，低粘度，适当的光学各向异性，负大电介质各向异性，液晶相的宽温度范围，与其他液晶化合物良好的相容性，以及含有该化合物的液晶组合物。本发明提供一种由式（1）表示的化合物，其中Ra和Rb是氢或具有1至20个碳原子的烷基；环A1是1,4-环己基，1,4-苯基，吡啶-2,5-二基，吡嗪-3,6-二基，去氢萘-2,6-二基，1,2,3,4-四氢萘-2,6-二基，5,6,7,8-四氢萘-2,6-二基或萘-2,6-二基；Z1是单键或具有1至4个碳原子的烷基；Y1是氢，卤素，-CN，-CF3，-CHF2，-CH2F，-OCF3，-OCHF2或-OCH2F；m为1、2或3。