1-(4-n-butylphenoxy)-2,3-epoxypropane | 6162-09-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-(4-n-butylphenoxy)-2,3-epoxypropane
• 英文别名: 2-[(4-Butylphenoxy)methyl]oxirane
• CAS: 6162-09-0
• 化学式: C₁₃H₁₈O₂
• 分子量: 206.285
• InChiKey: DXEHULHXWHEJJD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  15
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  21.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(4-n-butylphenoxy)-2,3-epoxypropane 、 异丙胺 以 乙醇 为溶剂， 生成 1-(4-n-butylphenoxy)-3-isopropylamino-2-propanol
  参考文献：
  名称：

  β1- and β2-Adrenoceptor antagonist activity of a series of para-substituted N-isopropylphenoxypropanolamines

  摘要：

  To further explore the structure-activity relationships of beta-adrenoceptor (beta-AR) antagonists, a series of 25 para-substituted N-isopropylphenoxy-propanolamines were synthesised, nine of which are new compounds. All have been examined for their ability to antagonise beta(1)-ARs in rat atria and beta(2)-ARs in rat trachea. Substitution in the para-position of the phenyl ring is thought to confer B-3-specificity and the selectivity of these compounds for the beta(1)-AR ranges from 1.5-234. None of the compounds tested were selective for the beta(2)-AR. Of the 25 compounds studied, 22 had reasonable (pA(2) > 7) potencies for the rat beta(1)-AR. Only compound I displayed reasonable (pA(2) > 7) potency for the rat beta(2)-AR. Twenty two compounds were used as the training set for comparative molecular field analysis (CoMFA) of antagonist potency (pA(2)) at the rat beta(1)- and beta(2)-ARs. The inclusion of a number of additional physical characteristics improved the QSAR analysis over models derived solely using the CoMFA electrostatic and steric fields. The final models predicted the beta(1)- and beta(2)-AR potency of the compounds in the training set with high accuracy (r(2) = 0.93 and 0.86 respectively). The final beta(1)-AR model predicted the beta(1)-potencies of two out of the three test compounds, not included in the training set, with residual pA(2) values < -0.14, whereas the test compounds were not as well predicted by our final beta(2)-AR model (residual pA(2) values < -0.38). (C) 1999 Editions scientifiques et medicales Elsevier SAS.

  DOI：

  10.1016/s0223-5234(99)00114-2
• 作为产物：
  描述：

  4-羟基苯丁酮 在 盐酸 、 氢氧化钾 、 汞 、 锌 作用下， 以 甲醇 、 乙醇 为溶剂， 生成 1-(4-n-butylphenoxy)-2,3-epoxypropane
  参考文献：
  名称：

  β1- and β2-Adrenoceptor antagonist activity of a series of para-substituted N-isopropylphenoxypropanolamines

  摘要：

  To further explore the structure-activity relationships of beta-adrenoceptor (beta-AR) antagonists, a series of 25 para-substituted N-isopropylphenoxy-propanolamines were synthesised, nine of which are new compounds. All have been examined for their ability to antagonise beta(1)-ARs in rat atria and beta(2)-ARs in rat trachea. Substitution in the para-position of the phenyl ring is thought to confer B-3-specificity and the selectivity of these compounds for the beta(1)-AR ranges from 1.5-234. None of the compounds tested were selective for the beta(2)-AR. Of the 25 compounds studied, 22 had reasonable (pA(2) > 7) potencies for the rat beta(1)-AR. Only compound I displayed reasonable (pA(2) > 7) potency for the rat beta(2)-AR. Twenty two compounds were used as the training set for comparative molecular field analysis (CoMFA) of antagonist potency (pA(2)) at the rat beta(1)- and beta(2)-ARs. The inclusion of a number of additional physical characteristics improved the QSAR analysis over models derived solely using the CoMFA electrostatic and steric fields. The final models predicted the beta(1)- and beta(2)-AR potency of the compounds in the training set with high accuracy (r(2) = 0.93 and 0.86 respectively). The final beta(1)-AR model predicted the beta(1)-potencies of two out of the three test compounds, not included in the training set, with residual pA(2) values < -0.14, whereas the test compounds were not as well predicted by our final beta(2)-AR model (residual pA(2) values < -0.38). (C) 1999 Editions scientifiques et medicales Elsevier SAS.

  DOI：

  10.1016/s0223-5234(99)00114-2

文献信息

• ALKALI-DEVELOPABLE PHOTOSENSITIVE RESIN COMPOSITION AND BETA-DIKETONE COMPOUND
  申请人：Yamada Takashi

  公开号：US20100129753A1

  公开（公告）日：2010-05-27

  An alkali developable photosensitive resin composition contains (J) a photopolymerizable unsaturated compound having a structure resulting from the addition reaction of (B) a compound having a β-diketone moiety or a compound having a β-ketoester group to the (meth)acryloyl group of (A) a compound having at least two (meth)acryloyl groups and a hydroxyl group and subsequent esterification of the hydroxyl group of the resulting addition product with (C) a polybasic acid anhydride. The compound having a β-diketone moiety is preferably a novel β-diketone compound represented by general formula (I): wherein R 1 is a C1-C20 alkyl group; R 2 represents R 11 , OR 11 , COR 11 , SR 11 , CONR 12 R 13 , or CN; R 11 , R 12 , and R 13 are each hydrogen, a C1-C20 alkyl group, etc.; a is 0 to 3; and b is 0 to 4.

  一种可由碱显影的光敏树脂组合物，含有（J）一种光聚合不饱和化合物，该化合物的结构是由（B）含β-二酮基团或含β-酮酯基团的化合物与（A）含至少两个(甲基)丙烯酰基团和一个羟基的化合物中的(甲基)丙烯酰基团发生加成反应，并随后将所得加成产物的羟基与（C）多元酸酐进行酯化反应得到的。含β-二酮基团的化合物最好是表示为通用公式（I）的一种新型β-二酮化合物：其中R1是C1-C20烷基团；R2代表R11、OR11、COR11、SR11、CONR12R13或CN；R11、R12和R13分别是氢、C1-C20烷基团等；a是0到3；b是0到4。
• AMINE FOR LOW-EMISSION EPOXY RESIN PRODUCTS
  申请人：SIKA TECHNOLOGY AG

  公开号：US20170029364A1

  公开（公告）日：2017-02-02

  The present invention relates to an amine of the formula (I) which is an adduct of 1,2-propylenediamine with an aryl monoglycidyl ether, to the use thereof as part of a hardener for epoxy resins, and to epoxy resin compositions obtained therewith. The amine of the formula (I) is preparable in a simple process in high purity, is of very low viscosity and is especially suitable for the curing of epoxy resins. It allows low-emission epoxy resin compositions which have good workability and which cure even under cold and damp conditions, quickly and without blushing effects, to form very hard products of high surface quality that display virtually no yellowing on exposure to light.

  本发明涉及一种化合物（I）的胺，该化合物是1,2-丙二胺与芳基单环氧丙基醚的加合物，其用作环氧树脂的硬化剂的一部分，以及由此获得的环氧树脂组合物。化合物（I）的胺可通过简单的方法制备，具有高纯度，粘度非常低，特别适用于环氧树脂的固化。它可以制备低排放的环氧树脂组合物，具有良好的加工性，在寒冷潮湿条件下甚至可以快速固化而不会出现发白效应，形成表面质量很高的非常坚硬的产品，在受光照射时几乎不会发黄。
• NOVEL COMPOUND, DYE AND COLORED PHOTOSENSITIVE COMPOSITION
  申请人：Maeda Yosuke

  公开号：US20130296455A1

  公开（公告）日：2013-11-07

  Disclosed are a dye that is excellent in solubility and heat-resistance, and a novel compound that is suitable for the dye, and specifically provides a yellow dye having a maximum absorption wavelength in the region of 420 to 470 nm. Also disclosed are a colored (alkali-developable) photosensitive composition and an optical filter using the dye, and specifically provides a color filter that does not decrease luminance and thus is preferable for an image display device such as a liquid crystal display panel. Specifically, disclosed are a novel compound represented by the following general formula (1), a dye using the compound, and a colored (alkali-developable) photosensitive composition and a color filter. The content of the above-mentioned general formula (1) is as described in the description.

  揭示了一种在溶解性和耐热性方面表现优异的染料，以及一种适用于该染料的新化合物，具体提供了在420至470纳米波长区域具有最大吸收波长的黄色染料。还公开了一种着色（碱可显影）光敏组合物和使用该染料的光学滤光片，具体提供了一种不降低亮度且适用于像液晶显示面板等图像显示设备的彩色滤光片。具体地，公开了以下通用公式（1）表示的新化合物，使用该化合物的染料，以及着色（碱可显影）光敏组合物和彩色滤光片。上述通用公式（1）的内容如描述中所述。
• AMINE FOR RAPID-CURING EPOXY RESIN COMPOSITIONS
  申请人：SIKA TECHNOLOGY AG

  公开号：US20180079710A1

  公开（公告）日：2018-03-22

  An amine of formula (I) which is particularly suitable for use as a curing agent for epoxy resins. The amine of formula (I) is devoid of non-incorporable toxic phenols, and is low-viscosity and pale in colour. It allows the production of easily-workable, low-emission or emission-free epoxy resin products which cure rapidly even at relatively low ambient temperatures thus obtaining a high degree of hardness and a nice surface with hardly any yellowing. This is particularly suited to use in floor or top coatings.

  一种化学式为(I)的胺，特别适用作环氧树脂的固化剂。该化学式(I)的胺不含不可溶性有毒酚类物质，具有低粘度和浅色。它可以生产易于加工、低排放或无排放的环氧树脂制品，即使在相对较低的环境温度下也可以快速固化，从而获得高度硬度和几乎没有发黄的漂亮表面。这特别适用于地板或表面涂层的使用。
• OXIME ESTER COMPOUND AND PHOTOPOLYMERIZATION INITIATOR CONTAINING SAID COMPOUND
  申请人：ADEKA CORPORATION

  公开号：US20170166575A1

  公开（公告）日：2017-06-15

  The present invention provides oxime ester compounds represented by general formula (I), a photopolymerization initiator using said compound, and a photosensitive composition, alkali-developable photosensitive resin composition, and colored alkali-developable photosensitive resin composition containing same, and cured products thereof. The compounds of the present invention have excellent stability and low sublimability, and are useful as highly sensitive photopolymerization initiators that are activated by efficiently absorbing near ultraviolet light of 365 nm, etc. (I) (See the Specification for the definitions of R 1 -R 8 in the formula. n represents 0 or 1.)

  本发明提供了一种由通用式（I）表示的肟酯化合物，使用该化合物的光聚合引发剂，以及包含相同化合物的光敏组合物、可碱开发的光敏树脂组合物和着色的可碱开发的光敏树脂组合物及其固化产品。本发明的化合物具有优异的稳定性和低升华性，并且可作为高灵敏度的光聚合引发剂，通过高效吸收365纳米等近紫外光激活。（I）（有关R1-R8在式中的定义，请参见说明书。n代表0或1。）