2-溴异丁酸仲丁酯 | 101252-90-8

• 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
• 中文名称: 2-溴异丁酸仲丁酯
• 英文名称: sec-butyl 2-bromoisobutyrate
• 英文别名: α-bromo-isobutyric acid sec-butyl ester；α-Brom-isobuttersaeure-sec-butylester；α-Brom-isobuttersaeure-sek.-butylester；Butan-2-yl 2-bromo-2-methylpropanoate；butan-2-yl 2-bromo-2-methylpropanoate
• CAS: 101252-90-8
• 化学式: C₈H₁₅BrO₂
• 分子量: 223.11
• InChiKey: UZHGEHUIONWHCY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-溴异丁酸仲丁酯 、 苯丙酮 在 lithium 作用下， 生成 2,2,3-trimethyl-4-oxo-4-phenyl-butyric acid
  参考文献：
  名称：

  Jacques et al., Bulletin de la Societe Chimique de France, 1958, p. 678,683

  摘要：

  DOI：
• 作为产物：
  描述：

  2-溴-2-甲基丙酸 、 仲丁醇 在 硫酸 作用下， 以 甲苯 为溶剂， 生成 2-溴异丁酸仲丁酯
  参考文献：
  名称：

  在非对映体烷氧基胺的裂解和重整时，非对映体过量。

  摘要：

  通过（1）H和（1）研究了几种基于TEMPO和DEPN（N-（2-甲基丙-2-基）-N-（1-二乙基膦酰基-2,2-二甲基丙基）-氨基二甲苯基）的烷氧基​​胺的热反应。 31）P NMR光谱法，旨在区分非对映选择性均解和偶联对总平衡非对映异构体分布的贡献。基于TEMPO的化合物未显示出非对映异构体过量，而基于DEPN的化合物在均质和偶联后均显示出适度的过量。DEPN-（丙酸酯样）加合物的均相非对映异构偏好不取决于酯基，它主要受β取代基大小的影响。非对映选择性偶联对总重组速率常数k（c）敏感，并且非对映选择性随k（c）的降低而增加。

  DOI：

  10.1039/b313990e

文献信息

• ANTIMICROBIAL COMPOUNDS AND METHODS OF USE
  申请人：NEXMED HOLDINGS, INC.

  公开号：US20140170207A1

  公开（公告）日：2014-06-19

  The present disclosure provides antimicrobial compounds, compositions comprising such antimicrobial compounds, and methods of their use, in particular, antibacterial compounds and antifungal compounds. In certain aspects, the antimicrobial compounds are effective against pathogens of hospital-acquired infections. In certain aspects, the antimicrobial compounds are effective against pathogens that are resistant to antibiotics. The antimicrobial compounds can be used in antibacterial compositions, antifungal compositions, antiseptic compositions and disinfectant compositions. The antimicrobial compounds can be used as adjuncts in antibacterial compositions and antifungal compositions.

  本公开提供抗微生物化合物，包含这些抗微生物化合物的组合物，以及它们的使用方法，特别是抗菌化合物和抗真菌化合物。在某些方面，这些抗微生物化合物对医院感染的病原体具有有效性。在某些方面，这些抗微生物化合物对抗生素耐药的病原体具有有效性。这些抗微生物化合物可用于抗菌组合物、抗真菌组合物、防腐剂组合物和消毒剂组合物。这些抗微生物化合物可用作抗菌组合物和抗真菌组合物的辅助剂。
• Copper-Catalyzed Bifunctionalization/Annulation of Unactivated Alkene with Alkyl Bromides
  作者：Cancan Feng、Yangjie Wu

  DOI：10.1021/acs.joc.3c01746

  日期：2023.11.3

  from unactivated alkenes and alkyl bromides via a Cu-catalyzed inter-/intramolecular carboamidation. This reaction proceeded smoothly under mild reaction conditions and exhibited a broad substrate scope and various functional groups. This protocol is not only compatible with 1, 2, and 3° alkyl bromides but also suitable for α-bromo nitrile as well as various benzyl bromides. The mechanism exploration

  β-内酰胺是生物活性化合物和药物中普遍存在的支架。在此，我们公开了一种从未活化的烯烃和烷基溴出发，通过 Cu 催化的分子间/分子内碳酰胺化反应构建 β-内酰胺的简化方法。该反应在温和的反应条件下顺利进行，并表现出广泛的底物范围和丰富的官能团。该方案不仅与 1、2 和 3° 烷基溴兼容，而且还适用于 α-溴腈以及各种苄基溴。机理探索表明涉及顺序自由基加成/还原消除。
• POROUS MATERIALS, METHOD FOR PRODUCING SAME AND USES THEREOF
  申请人：ETH Zurich

  公开号：EP3495040A1

  公开（公告）日：2019-06-12

  Method for preparing surface-functionalized macro porous micro-clusters is proposed comprising at least the following individual steps in given order: a) synthesis of dispersed cross-linked polymeric latex primary core particles starting from at least one monomer or oligomer in an emulsion polymerization under starved conditions; b) synthesis of a shell layer on the surface of the primary core particles to form core-shell particles starting under starved conditions from the same at least one monomer or oligomer as in step a) and in addition to that at least one additional azide monomer; c) swelling of the core-shell particles with a liquid comprising at least one of the monomers or oligomers as used in a) as well as a polymerization initiator but preferably no azide monomer in particular not the additional azide monomer from step b); d) formation of agglomerates of the particles by application of shear; e) polymerization of the agglomerates to form the macro porous micro-clusters; f) direct or indirect surface-functionalization of the agglomerates by way of Cu-(I)-catalyzed or strain promoted azide-alkyne cycloaddition with the azide introduced in step b).

  本发明提出了制备表面功能化大孔径微簇的方法，至少包括以下按给定顺序排列的各个步骤： a) 以至少一种单体或低聚物为原料，在饥饿条件下进行乳液聚合，合成分散交联聚合胶乳主芯颗粒； b) 在饥饿条件下，用与步骤 a) 相同的至少一种单体或低聚物，以及至少另外一种叠氮单体，在原核粒子表面合成壳层，形成核壳粒子； c) 用一种液体溶胀核壳颗粒，该液体包含 a) 步骤中使用的至少一种单体或低聚物以及聚合引发剂，但最好不含叠氮单体，尤其是不含步骤 b) 中的附加叠氮单体； d) 施加剪切力使颗粒形成团聚体； e) 使团聚体聚合，形成大孔微团块； f) 通过 Cu-(I)催化或应变促进的叠氮烷烃与步骤 b) 中引入的叠氮化物进行环加成，使团聚体直接或间接表面功能化。
• US8900625B2
  申请人：——

  公开号：US8900625B2

  公开（公告）日：2014-12-02
• [EN] POROUS MATERIALS, METHOD FOR PRODUCING SAME AND USES THEREOF<br/>[FR] MATÉRIAUX POREUX, PROCÉDÉ DE PRODUCTION DE CEUX-CI ET LEURS UTILISATIONS
  申请人：ETH ZUERICH

  公开号：WO2019110318A1

  公开（公告）日：2019-06-13

  Method for preparing surface-functionalized macro porous micro-clusters is proposed comprising at least the following individual steps in given order: a) synthesis of dispersed cross-linked polymeric latex primary core particles starting from at least one monomer or oligomer in an emulsion polymerization under starved conditions; b) synthesis of a shell layer on the surface of the primary core particles to form core-shell particles starting under starved conditions from the same at least one monomer or oligomer as in step a) and in addition to that at least one additional azide monomer, wherein the shell layer is less cross-linked than the primary core particles; c) swelling of the core-shell particles with a liquid comprising at least one of the monomers or oligomers as used in a) as well as a polymerization initiator but not the additional azide monomer from step b); d) formation of agglomerates of the particles by application of shear; e) polymerization of the agglomerates to form the macro porous micro-clusters; f) direct or indirect surface-functionalization of the agglomerates by way of uncatalyzed, Cu-(I)-catalyzed or strain promoted azide-alkyne cycloaddition with the azide introduced in step b).