4-hydroxybutyl 2-cyanoacetate | 872031-81-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 4-hydroxybutyl 2-cyanoacetate
• 英文别名: 4-Hydroxybutyl cyanoacetate
• CAS: 872031-81-7
• 化学式: C₇H₁₁NO₃
• 分子量: 157.169
• InChiKey: SPVWLYKDBKCXOI-UHFFFAOYSA-N

物化性质

• 沸点：
  317.1±22.0 °C(Predicted)
• 密度：
  1.135±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  11
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  70.3
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-hydroxybutyl 2-cyanoacetate 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 生成 (E)-2-Cyano-3-(2-methyl-benzofuran-5-ylamino)-3-methylsulfanyl-acrylic acid 4-hydroxy-butyl ester
  参考文献：
  名称：

  Ketene aminal-based lactam derivatives as a novel class of orally active FXa inhibitors

  摘要：

  N,N'-Disubstituted ketene aminals are good bioisosteres of thiourea functional groups. We report the design and synthesis of a novel class of ketene aminal-based lactam derivatives as potent and orally active FXa inhibitors. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.08.107
• 作为产物：
  描述：

  1,4-丁二醇 、 氰乙酸 在 草酰氯 、 N,N-二甲基甲酰胺 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 19.16h， 以50%的产率得到4-hydroxybutyl 2-cyanoacetate
  参考文献：
  名称：

  用于单一材料有机太阳能电池的C 60-小芳基胺推拉二元组

  摘要：

  描述了两个二元体的合成，这些二元体通过酯化反应形成的柔性绝缘连接基团连接，包括小的基于芳基胺的推挽系统作为供体嵌段和C 60富勒烯作为受体。在通过循环伏安法和UV-Vis吸收光谱法分析了它们的电子特性后，已经在简单的直接结构装置中评估了这些分子作为单材料有机太阳能电池活性材料的潜力。基本上由于填充因子差，这两种方法均导致约0.40％的适中转换效率。就供体和受体嵌段的纳米相分离不足以及与连接C 60连续的供体嵌段的空穴迁移率下降而言，讨论了这些结果。

  DOI：

  10.1016/j.dyepig.2019.107748

文献信息

• CURED PRODUCT, OPTICAL MEMBER, LENS, COMPOUND, AND CURABLE COMPOSITION
  申请人：FUJIFILM Corporation

  公开号：US20200199095A1

  公开（公告）日：2020-06-25

  According to the present invention, a cured product obtained by curing a curable composition including a compound represented by General Formula 1, in which a birefringence Δn (587 nm) is 0.00≤Δn (587 nm)≤0.01, is provided, and this cured product is suitable for manufacturing an optical member. Pol 1 -Sp 1 -L 1 -Ar-L 2 -Sp 2 -Pol 2 (General Formula 1 ) In formula, Ar is an aromatic ring group represented by General Formula 2-2 and the like. In formula, Z 1 and Z 2 each represent a hydrogen atom, a methyl group, and the like; A 1 and A 2 each represent —S— and the like; X represents C(Rz) 2 and the like (where Rz is a substituent, and two Rz's may form a ring); L 1 and L 2 each represent a single bond, —O—, —OC(═O)—, —OC(═O)O—, —OC(═O)NH—, and the like; Sp 1 and Sp 2 each represent a single bond or a divalent linking group; Pol 1 and Pol 2 each represent a hydrogen atom or a polymerizable group; and a compound represented by General Formula 1 has at least one polymerizable group.

  根据本发明，通过固化包括通式1所代表的化合物的可固化组合物获得的固化产品，其中双折射Δn（587 nm）为0.00≤Δn（587 nm）≤0.01，提供，并且该固化产品适用于制造光学元件。 Pol1-Sp1-L1-Ar-L2-Sp2-Pol2（通式1） 在公式中，Ar是由通式2-2等表示的芳香环基团。 在公式中，Z1和Z2分别表示氢原子，甲基基团等；A1和A2分别表示—S—等；X表示C（Rz）2等（其中Rz是取代基，两个Rz可能形成环）；L1和L2分别表示单键，—O—，—OC（═O）—，—OC（═O）O—，—OC（═O）NH—等；Sp1和Sp2分别表示单键或二价连接基团；Pol1和Pol2分别表示氢原子或可聚合基团；并且由通式1所代表的化合物至少具有一个可聚合基团。
• Cured product, optical member, lens, compound, and curable composition
  申请人：FUJIFILM Corporation

  公开号：US11078180B2

  公开（公告）日：2021-08-03

  According to the present invention, a cured product obtained by curing a curable composition including a compound represented by General Formula 1, in which a birefringence Δn (587 nm) is 0.00≤Δn (587 nm)≤0.01, is provided, and this cured product is suitable for manufacturing an optical member. Pol1-Sp1-L1-Ar-L2-Sp2-Pol2  (General Formula 1) In formula, Ar is an aromatic ring group represented by General Formula 2-2 and the like. In formula, Z1 and Z2 each represent a hydrogen atom, a methyl group, and the like; A1 and A2 each represent —S— and the like; X represents C(Rz)2 and the like (where Rz is a substituent, and two Rz's may form a ring); L1 and L2 each represent a single bond, —O—, —OC(═O)—, —OC(═O)O—, —OC(═O)NH—, and the like; Sp1 and Sp2 each represent a single bond or a divalent linking group; Pol1 and Pol2 each represent a hydrogen atom or a polymerizable group; and a compound represented by General Formula 1 has at least one polymerizable group.

  根据本发明，提供了一种通过固化包含通式 1 所表示的化合物的可固化组合物而获得的固化产品，其中双折射 Δn (587 nm) 为 0.00≤Δn (587 nm)≤0.01 ，该固化产品适用于制造光学部件。 Pol1-Sp1-L1-Ar-L2-Sp2-Pol2 （通式 1） 式中，Ar 是由通式 2-2 及类似通式表示的芳香环基。 式中，Z1 和 Z2 分别代表氢原子、甲基等；A1 和 A2 分别代表-S-等；X 代表 C(Rz)2 等（其中 Rz 是取代基，两个 Rz 可形成一个环）；L1 和 L2 分别代表单键、-O-、-OC(═O)-、-OC(═O)O-、-OC(═O)NH- 等；Sp1和Sp2各自代表单键或二价连接基团；Pol1和Pol2各自代表氢原子或可聚合基团；通式1所代表的化合物具有至少一个可聚合基团。
• Rigidified merocyanine dyes with different aspect ratios: Dichroism and photostability
  作者：Katharina Christina Kreß、Korinna Bader、Joachim Stumpe、S. Holger Eichhorn、Sabine Laschat、Thomas Fischer

  DOI：10.1016/j.dyepig.2015.04.041

  日期：2015.10

  A series of new rigidified merocyanines were investigated with regard to their optical properties as dichroic dyes. Guest/host-mixtures of the dyes were prepared using a liquid crystal and a reactive mesogen mixture. Their dichroism was studied using linearly-polarized UV/Vis-spectroscopy. A strong dependence of the dichroic ratio on the aspect ratio, the number of double bonds in the molecular structure, and on the maximum wavelength of absorption was found. A strategy to increase the aspect ratio has also been demonstrated. Additionally, the photostability was characterized using continued irradiation with polychromatic light from a xenon source. High photostability was found in all host mixtures in the absence of oxygen by alignment in a matrix. The suitability for their application as dichroic dyes in thin layer polarizers and guest/host-displays is herein discussed. (C) 2015 Elsevier Ltd. All rights reserved.
• OPTICAL RECORDING COMPOSITION AND HOLOGRAPHIC RECORDING MEDIUM
  申请人：SUZUKI Hiroyuki

  公开号：US20090202921A1

  公开（公告）日：2009-08-13

  The present invention provides an optical recording composition comprising at least one compound denoted by general formula (I) and a holographic recording medium comprising a recording layer, wherein the recording layer comprises at least one compound denoted by general formula (I). In general formula (I), each of A 1 and A 2 independently denotes —CR 4 R 5 —, —O—, —NR 6 —, —S—, or —C(═O)—, each of R 4 , R 5 , and R 6 independently denotes a hydrogen atom or a substituent, R 1 denotes a substituent, n denotes an integer ranging from 0 to 4, each of R 2 and R 3 independently denotes a substituent having a Hammett substituent constant, σp value, of greater than 0, R 2 and R 3 do not form a ring structure by bonding together, and at least one from among R 1 , R 2 , R 3 , A 1 , and A 2 comprises at least one polymerizable group.
• Ketene aminal-based lactam derivatives as a novel class of orally active FXa inhibitors
  作者：Yan Shi、Jing Zhang、Philip D. Stein、Mengxiao Shi、Stephen P. O’Connor、Sharon N. Bisaha、Chi Li、Karnail S. Atwal、Gregory S. Bisacchi、Doree Sitkoff、Andrew T. Pudzianowski、Eddie C. Liu、Karen S. Hartl、Steven M. Seiler、Sonia Youssef、Thomas E. Steinbacher、William A. Schumacher、Alan R. Rendina、Jeffrey M. Bozarth、Tara L. Peterson、Ge Zhang、Robert Zahler

  DOI：10.1016/j.bmcl.2005.08.107

  日期：2005.12

  N,N'-Disubstituted ketene aminals are good bioisosteres of thiourea functional groups. We report the design and synthesis of a novel class of ketene aminal-based lactam derivatives as potent and orally active FXa inhibitors. (c) 2005 Elsevier Ltd. All rights reserved.