1-叔丁氧基-4-乙炔基苯 | 1093192-41-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 1-叔丁氧基-4-乙炔基苯
• 英文名称: 1-tert-butoxy-4-ethynylbenzene
• 英文别名: 1-ethynyl-4-[(2-methylpropan-2-yl)oxy]benzene
• CAS: 1093192-41-6
• 化学式: C₁₂H₁₄O
• mdl: MFCD06797761
• 分子量: 174.243
• InChiKey: GMFHQLHPNOSAFN-UHFFFAOYSA-N

物化性质

• 沸点：
  240.7±23.0 °C(Predicted)
• 密度：
  0.96±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-叔丁氧基-4-乙炔基苯 、 methyl 3,6-dioxocyclohexa-1,4-diene-1-carboxylate 在 lewis acid 作用下， 生成
  参考文献：
  名称：

  Synthesis and SAR of 2,3‐Dihydro‐1‐benzofuran‐4‐carboxylates: Potent Salicylic Acid‐Based Lead Structures against Plant Stress

  摘要：

  AbstractNew 2,3‐dihydro‐1‐benzofuran‐4‐carboxylic acid derivatives have been identified as potent lead structures against drought and cold stress in crops starting from the synthetic exploration of stabilized analogs of the natural product lunularic acid. An optimized Lewis‐acid mediated cyclization gave a short and efficient access to the envisaged 2,3‐dihydro‐1‐benzofuran‐4‐carboxylates. Enantioselective approaches were investigated to assess the potential impact of the chiral center on in vivo activity. Whilst 2,3‐dihydro‐1‐benzofuran‐4‐carboxamides and 2,3‐dihydro‐1‐benzofuran‐4‐carboxylates carrying phenyl substituents with electron‐withdrawing groups exhibited only low to moderate in vivo activity, the corresponding 2,3‐dihydro‐1‐benzofuran‐4‐carboxylates carrying optimized electron‐donating substituents in the phenyl moiety revealed strong in vivo activity, both against drought stress in several broad‐acre crops, as well as against cold stress in corn. Remarkably, several 2,3‐dihydro‐1‐benzofuran‐4‐carboxylates showed stronger efficacy than the internal standards used in our in vivo SAR study.

  DOI：

  10.1002/ejoc.202200087

文献信息

• HYBRID BLOCK COPOLYMER MICELLES WITH MIXED STEREOCHEMISTRY FOR ENCAPSULATION OF HYDROPHOBIC AGENTS
  申请人：SILL Kevin N.

  公开号：US20080274173A1

  公开（公告）日：2008-11-06

  The present invention relates to the field of polymer chemistry and more particularly to multiblock copolymers and micelles comprising the same.

  本发明涉及聚合物化学领域，更具体地说是涉及多嵌段共聚物以及包含该共聚物的胶束。
• Dehydrogenative Diboration of Alkynes Catalyzed by Ir/CO/tBuNC System
  作者：Qingheng Lai、Oleg V. Ozerov

  DOI：10.1016/j.jorganchem.2020.121614

  日期：2021.1

  dehydrogenative diboration (DHDB) of alkyne with HBpin was achieved using [Ir(COD)Cl]2 and other related Ir precursors under CO atmosphere. The selectivity for DHDB over hydroboration was higher in less polar solvents and under higher CO pressure. It was further improved when catalytic amount of tBuNC was added to the reaction. It was possible to achieve DHDB of both terminal and internal alkynes with selectivity

  在CO气氛下，使用[Ir（COD）Cl] 2和其他相关的Ir前体，实现了HBpin炔烃的催化脱氢硼氢化（DHDB）。在极性较小的溶剂中和较高的CO压力下，DHDB在硼氢化反应中的选择性较高。当将催化量的t BuNC加入反应中时，其进一步改善。在最佳条件下，对末端和内部炔烃的DHDB选择性可达9：1。某些DHDB产品已按制备规模分离。
• POLYMERIZABLE COMPOUND HAVING TRIPLE BOND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE
  申请人：JNC CORPORATION

  公开号：US20150376505A1

  公开（公告）日：2015-12-31

  To provide a liquid crystal compound having high polymerization reactivity, a high conversion ratio and high solubility in a liquid crystal composition, a polymerizable composition containing the compound, a liquid crystal composite prepared using the composition, and a liquid crystal display device including the composite. The liquid crystal display device prepared using the polymerizable composition containing the compound represented by formula (1): wherein, in formula (1), P 1 to P 6 are a polymerizable group; S 1 to S 6 are a single bond, alkylene or the like; a1, a3 and a4 are an integer from 0 to 4, a2 is an integer from 1 to 4; ring A 1 to ring A 4 are a divalent group derived from benzene, naphthalene, anthracene, pyrimidine, pyridine or the like; Z 1 to Z 3 are a single bond, alkylene or the like, and at least one of Z 1 , Z 2 and Z 3 is —C≡C—; and b1 is 0 or 1.

  为提供一种具有高聚合反应性、高转化率和高溶解度的液晶化合物，本发明提供了一种含有该化合物的可聚合组分、使用该组分制备的液晶复合物以及包括该复合物的液晶显示装置。使用式（1）所表示的化合物制备的聚合物化组分，其中，在式（1）中，P1到P6是可聚合基团；S1到S6是单键、烷基或类似物；a1、a3和a4是0至4的整数，a2是1至4的整数；环A1到环A4是由苯、萘、蒽、嘧啶、吡啶或类似物导出的二价基团；Z1到Z3是单键、烷基或类似物，其中至少一个为—C≡C—；b1为0或1。
• ANTIBACTERIAL AGENTS
  申请人：Moser Heinz E.

  公开号：US20100190766A1

  公开（公告）日：2010-07-29

  Antibacterial compounds of formula (I) are provided: as well as stereoisomers, pharmaceutically acceptable salts, esters, and prodrugs thereof; pharmaceutical compositions comprising such compounds; methods of treating bacterial infections by the administration of such compounds; and processes for the preparation of such compounds.

  提供化学式(I)的抗菌化合物：以及其立体异构体，药学上可接受的盐，酯和前药；包含这些化合物的制药组合物；通过给予这些化合物的途径治疗细菌感染的方法；以及制备这些化合物的过程。
• Antibacterial agents
  申请人：Achaogen, Inc.

  公开号：EP2662353A2

  公开（公告）日：2013-11-13

  Antibacterial compounds of formula (I) are provided, as well as stereoisomers, pharmaceutically acceptable salts, esters, and prodrugs thereof; pharmaceutical compositions comprising such compounds; methods of treating bacterial infections by the administration of such compounds; and processes for the preparation of such compounds.

  提供了式 (I) 的抗菌化合物及其立体异构体、药学上可接受的盐、酯和原药；包含此类化合物的药物组合物；通过服用此类化合物治疗细菌感染的方法；以及制备此类化合物的工艺。