4-bromo-2,6-dimethylacetophenone | 53379-63-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-bromo-2,6-dimethylacetophenone
• 英文别名: 1-(4-Bromo-2,6-dimethylphenyl)ethanone
• CAS: 53379-63-8
• 化学式: C₁₀H₁₁BrO
• 分子量: 227.101
• InChiKey: STVFCIJNVZZCRX-UHFFFAOYSA-N

物化性质

• 沸点：
  295.6±28.0 °C(Predicted)
• 密度：
  1.338±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-bromo-2,6-dimethylacetophenone 在 selenium(IV) oxide 、 tris-(dibenzylideneacetone)dipalladium(0) 、 potassium carbonate 、 caesium carbonate 、 N,N-二异丙基乙胺 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 、 三氯氧磷 作用下， 以 1,4-二氧六环 、 乙醇 、 氯仿 、 水 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 72.0h， 生成 N-(4-{3-[(5-methoxy-benzothiazol-2-ylmethyl)-amino]-[1,2,4]triazin-5-yl}-3,5-dimethyl-phenyl)-acetamide
  参考文献：
  名称：

  Novel HldE-K Inhibitors Leading to Attenuated Gram Negative Bacterial Virulence

  摘要：

  We report here the optimization of an HldE kinase inhibitor to low nanomolar potency, which resulted in the identification of the first reported compounds active on selected E. coli strains. One of the most interesting candidates, compound 86, was shown to inhibit specifically bacterial I,PS heptosylation on efflux pump deleted E. coli strains. This compound did not interfere with E. coli bacterial growth (MIC > 32 mu g/mL) but sensitized this pathogen to hydrophobic antibiotics like macrolides normally inactive on Gram-negative bacteria. In addition, 86 could sensitize E. coli to serum complement killing. These results demonstrate that HldE kinase is a suitable target for drug discovery. They also pave the way toward novel possibilities of treating or preventing bloodstream infections caused by pathogenic Gram negative bacteria by inhibiting specific virulence factors.

  DOI：

  10.1021/jm301499r
• 作为产物：
  描述：

  1-(4-氨基-2,6-二甲基苯基)乙酮 在 盐酸 、 亚硝酸特丁酯 、 copper(ll) bromide 作用下， 以 乙腈 为溶剂， 反应 0.5h， 以14%的产率得到4-bromo-2,6-dimethylacetophenone
  参考文献：
  名称：

  Al-Ka'bi, Ja'far; Farooqi, Jameel A.; Gore, Peter H., Journal of the Chemical Society. Perkin transactions II, 1988, p. 943 - 950

  摘要：

  DOI：

文献信息

• New 1,2,4-triazine derivatives and biological applications thereof
  申请人：Mutabilis

  公开号：EP2141164A1

  公开（公告）日：2010-01-06

  The invention relates to new 1,2,4-triazine derivatives of formula (I): wherein A, B, R2 and Y are defined in the application, their preparation and intermediates, their use as drugs and pharmaceutical compositions and associations containing them. The compounds of formula (I) are capable of inhibiting bacterial heptose synthesis.

  这项发明涉及公式(I)的新1,2,4-三嗪衍生物： 其中A、B、R2和Y在申请中有定义， 它们的制备和中间体，它们作为药物和药物组合物的用途以及含有它们的关联物。 公式(I)的化合物能够抑制细菌七糖合成。
• [EN] AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS<br/>[FR] MODULATEURS DE LXR À BASE D'AMINE OU DE (THIO) AMIDE
  申请人：PHENEX FXR GMBH

  公开号：WO2019016269A1

  公开（公告）日：2019-01-24

  The present invention relates to derivatives of formula (I) which bind to the liver X receptor (LXRα and/or LXRβ) and act preferably as inverse agonists of LXR.

  本发明涉及公式（I）的衍生物，其结合到肝X受体（LXRα和/或LXRβ），并且作为LXR的拮抗剂。
• NOVEL LINEAR ALPHA-OLEFIN CATALYSTS AND PREPARATION AND USE THEREOF
  申请人：APALENE TECHNOLOGY CO., LTD. (JIAXING)

  公开号：US20180147571A1

  公开（公告）日：2018-05-31

  The present invention relates to a novel linear a-olefin catalyst composition, and preparation and use thereof. The catalyst composition includes a main catalyst and a co-catalyst, wherein the main catalyst is an imino-based iron coordination compound, and the co-catalyst is a mixture of methylaluminoxane, triisobutylaluminum, and borane or GaCl 3 . The catalyst composition can be used to catalyze ethylene oligomerization to produce linear α-olefins having a selectivity of greater than 96%, carbon distribution between C4-C28 with the component of C6-C20 being greater than 75%. The catalyst of the invention is stable in structure and can be used for ethylene oligomerization with high catalytic efficiency. The method of the invention has the advantages of relatively convenient in operation, readily available of raw materials, high yield, low costs, less pollution and easy for industrial production.

  本发明涉及一种新型的线性α-烯烃催化剂组合物，以及其制备和使用。该催化剂组合物包括主催化剂和辅助催化剂，其中主催化剂是一种基于亚胺的铁配位化合物，而辅助催化剂是甲基铝氧烷、三异丁基铝和硼烷或氯化镓的混合物。该催化剂组合物可用于催化乙烯寡聚反应，产生选择性大于96%的线性α-烯烃，碳分布在C4-C28之间，其中C6-C20的组分大于75%。该发明的催化剂结构稳定，可用于高效乙烯寡聚反应。该发明的方法具有操作相对便利、原料易得、产量高、成本低、污染少且易于工业生产的优点。
• Linear alpha-olefin catalysts and preparation and use thereof
  申请人：APALENE TECHNOLOGY CO., LTD. (JIAXING)

  公开号：US10441946B2

  公开（公告）日：2019-10-15

  The present invention relates to a novel linear α-olefin catalyst composition, and preparation and use thereof. The catalyst composition includes a main catalyst and a co-catalyst, wherein the main catalyst is an imino-based iron coordination compound, and the co-catalyst is a mixture of methylaluminoxane, triisobutylaluminum, and borane or GaCl3. The catalyst composition can be used to catalyze ethylene oligomerization to produce linear α-olefins having a selectivity of greater than 96%, carbon distribution between C4-C28 with the component of C6-C20 being greater than 75%. The catalyst of the invention is stable in structure and can be used for ethylene oligomerization with high catalytic efficiency. The method of the invention has the advantages of relatively convenient in operation, readily available of raw materials, high yield, low costs, less pollution and easy for industrial production.

  本发明涉及一种新型线性α-烯烃催化剂组合物及其制备和使用。该催化剂组合物包括主催化剂和助催化剂，其中主催化剂为亚氨基铁配位化合物，助催化剂为甲基铝氧烷、三异丁基铝和硼烷或 GaCl3 的混合物。该催化剂组合物可用于催化乙烯低聚生成线性α-烯烃，其选择性大于 96%，碳分布在 C4-C28 之间，C6-C20 的组分大于 75%。本发明催化剂结构稳定，可用于乙烯低聚，催化效率高。本发明的方法具有操作相对方便、原料易得、收率高、成本低、污染少、易于工业化生产等优点。
• Vinyl cation intermediates in solvolytic and electrophilic reactions. 1. Solvolysis of .alpha.-arylvinyl derivatives
  作者：Keith Yates、George Mandrapilias

  DOI：10.1021/jo01307a032

  日期：1980.9