1-溴己-1-烯 | 13154-13-7

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 乙烯基卤化物
• 中文名称: 1-溴己-1-烯
• 英文名称: (E)-1-bromohex-1-ene
• 英文别名: (E)-1-bromo-1-hexene；1-bromo-1-hexene；trans-1-Bromo-1-hexene
• CAS: 13154-13-7
• 化学式: C₆H₁₁Br
• 分子量: 163.057
• InChiKey: FBUZNPORDKVYFD-AATRIKPKSA-N

物化性质

• 熔点：
  -102.35°C (estimate)
• 沸点：
  138.85°C (estimate)
• 密度：
  1.1840

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  7
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

安全信息

• 海关编码：
  2903399090

反应信息

• 作为反应物：
  描述：

  1-溴己-1-烯 在 18-冠醚-6 、 potassium tert-butylate 作用下， 以 Petroleum ether 为溶剂， 反应 2.0h， 以93%的产率得到1-己炔
  参考文献：
  名称：

  Dehmlow, Eckehard V.; Lissel, Manfred, Liebigs Annalen der Chemie, 1980, # 1, p. 1 - 13

  摘要：

  DOI：
• 作为产物：
  描述：

  diisopropyl (Z)-1-hexenylboronate 在 溴 、 sodium methylate 作用下， 生成 1-溴己-1-烯
  参考文献：
  名称：

  Vinylic organoboranes. 14. A stereospecific synthesis of (E)-1-halo-1-alkenes from 1-alkynes

  摘要：

  DOI：

  10.1021/jo00287a019

文献信息

• Formation of Quaternary Stereogenic Centers by Copper-Catalyzed Asymmetric Conjugate Addition Reactions of Alkenylaluminums to Trisubstituted Enones
  作者：Daniel Müller、Alexandre Alexakis

  DOI：10.1002/chem.201302856

  日期：2013.11.4

  undergo asymmetric copper‐catalyzed conjugate addition (ACA) to β‐substituted enones allowing the formation of stereogenic all‐carbon quaternary centers. Phosphinamine–copper complexes proved to be particularly active and selective compared with phosphoramidite ligands. After extensive optimization, high enantioselectivities (up to 96 % ee) were obtained for the addition of alkenylalanes to β‐substituted

  烯基铝经过不对称的铜催化共轭加成（ACA）至β取代的烯酮，从而形成立体立体的全碳四元中心。与亚磷酰胺配体相比，膦胺-铜络合物被证明具有特别的活性和选择性。经过广泛的优化后，将烯基丙氨酸添加到β-取代的烯酮中获得了很高的对映选择性（高达ee的96％  ）。为了产生芳基和烷基取代的烯基亲核试剂，探索了两种生成必需的烯基铝的策略。此外，首次将烷基取代的次膦胺（SimplePhos）配体鉴定为Cu催化的ACA的高效配体。
• Methods for using therapeutic compounds containing xanthinyl
  申请人：Cell Therapeutics, Inc.

  公开号：US06043250A1

  公开（公告）日：2000-03-28

  Therapeutic compounds with at least one carboxylic acid, ester or amide-substituted side chain have the formula: CORE MOIETY --(R).sub.j wherein j is an integer from one to three. The core moiety is non-cyclic or cyclic (carbocyclic or heterocyclic). R may be selected from among hydrogen, halogen, hydroxyl, amino, substituted or unsubstituted C(.sub.1-10) alkyl, C(.sub.2-10) alkenyl, carbocyclic or heterocyclic groups and at least one R has the formula I: ##STR1## wherein: one or two p are the integer one, otherwise p is two; and n is an integer from three to twenty; R.sub.1 is selected from the group consisting of substituted and unsubstituted CH.sub.2 ; NR.sub.3, R.sub.3 being hydrogen, substituted or unsubstituted C(.sub.1-20) alkyl, C.sub.(1-20) alkoxyl, C.sub.(2-20) alkenyl or C.sub.(1-20) hydroxyalkyl, or carbocyclic or heterocyclic group; O; --CHR.sub.4 O--, R.sub.4 being substituted or unsubstituted C.sub.(1-20) alkyl, C.sub.(1-20) alkoxyl, C.sub.(2-20) alkenyl, C.sub.(1-20) hydroxyalkyl, or R.sub.2 and R.sub.4 join to form a substituted or unsubstituted heterocycle having four to seven ring atoms, the ether group --O-- of --CHR.sub.4 O-- being a member of the heterocycle. R.sub.2 is selected from the group consisting of hydrogen; halogen; substituted or unsubstituted C.sub.(1-10) alkyl; C.sub.(1-10) alkoxyl; C.sub.(2-10) alkenyl; C.sub.(1-10) hydroxyalkyl; --A(R.sub.5).sub.m, A being N or 0, m being one or two and R.sub.5 being hydrogen, a substituted or unsubstituted C.sub.(1-10) alkyl, C.sub.(1-10) alkoxyl, C.sub.(2-10) alkenyl or C.sub.(1-10) hydroxyalkyl), or carbocyclic or heterocyclic group. At least one of R.sub.1 is NR.sub.3, O or --CHR.sub.4 O--, or R.sub.2 is --A(R.sub.5).sub.m. The compounds and pharmaceutical compositions thereof are useful as therapies for diseases advanced via intracellular signaling through specific intracellular signaling pathways by mediating a signaling response to an external stimuli.

  具有至少一个羧酸、酯或酰胺取代侧链的治疗化合物具有以下公式：CORE MOIETY --(R).sub.j，其中j是从一到三的整数。核心基团是非环状或环状（碳环或杂环）。R可以从氢、卤素、羟基、氨基、取代或未取代的C(.sub.1-10)烷基、C(.sub.2-10)烯基、碳环或杂环基团中选择，至少一个R具有以下公式I：##STR1##其中：一个或两个p是整数一，否则p为二；n是从三到二十的整数；R.sub.1从取代和未取代的CH.sub.2；NR.sub.3中选择，R.sub.3为氢、取代或未取代的C(.sub.1-20)烷基、C.sub.(1-20)烷氧基、C.sub.(2-20)烯基或C.sub.(1-20)羟基烷基，或碳环或杂环基团；O；--CHR.sub.4 O--，R.sub.4为取代或未取代的C.sub.(1-20)烷基、C.sub.(1-20)烷氧基、C.sub.(2-20)烯基、C.sub.(1-20)羟基烷基，或R.sub.2和R.sub.4连接形成具有四到七个环原子的取代或未取代杂环，--CHR.sub.4 O--的醚基--O--是杂环的成员。R.sub.2从氢；卤素；取代或未取代的C.sub.(1-10)烷基；C.sub.(1-10)烷氧基；C.sub.(2-10)烯基；C.sub.(1-10)羟基烷基；--A(R.sub.5).sub.m中选择，A为N或0，m为一或二，R.sub.5为氢、取代或未取代的C.sub.(1-10)烷基、C.sub.(1-10)烷氧基、C.sub.(2-10)烯基或C.sub.(1-10)羟基烷基，或碳环或杂环基团。R.sub.1中至少有一个为NR.sub.3、O或--CHR.sub.4 O--，或R.sub.2为--A(R.sub.5).sub.m。这些化合物及其制药组合物可用作通过介导对外部刺激的信号响应来通过特定细胞内信号传导途径推进的疾病的治疗方法。
• Therapeutic compounds containing pyrimidinyl moieties
  申请人：Cell Therapeutics, Inc.

  公开号：US05807862A1

  公开（公告）日：1998-09-15

  Therapeutic compounds with at least one carboxylic acid, ester or amide-substituted side chain have the formula: CORE MOIETY--(R).sub.j wherein j is an integer from one to three. The core moiety is non-cyclic or cyclic (carbocyclic or heterocyclic). R may be selected from among hydrogen, halogen, hydroxyl, amino, substituted or unsubstituted C.sub.(1-10) alkyl, C.sub.(2-10) alkenyl, carbocyclic or heterocyclic groups and at least one R has the formula I: ##STR1## wherein: one or two p are the integer one, otherwise p is two; and n is an integer from three to twenty; R.sub.1 is selected from the group consisting of substituted and unsubstituted CH.sub.2 ; NR.sub.3, R.sub.3 being hydrogen, substituted or unsubstituted C.sub.(1-20) alkyl, C.sub.(1-20) alkoxyl, C.sub.(2-20) alkenyl or C.sub.(1-20) hydroxyalkyl, or carbocyclic or heterocyclic group; O; --CHR.sub.4 O--, R.sub.4 being substituted or unsubstituted C.sub.(1-20) alkyl, C.sub.(1-20) alkoxyl, C.sub.(2-20) alkenyl, C.sub.(1-20) hydroxyalkyl, or R.sub.2 and R.sub.4 join to form a substituted or unsubstituted heterocycle having four to seven ring atoms, the ether group --O-- of --CHR.sub.4 O-- being a member of the heterocycle. R.sub.2 is selected from the group consisting of hydrogen; halogen; substituted or unsubstituted C.sub.(1-10) alkyl; C.sub.(1-10) alkoxyl; C.sub.(2-10) alkenyl; C.sub.(1-10) hydroxyalkyl; --A(R.sub.5).sub.m, A being N or O, m being one or two and R.sub.5 being hydrogen, a substituted or unsubstituted C.sub.(1-10) alkyl, C.sub.(1-10) alkoxyl, C.sub.(2-10) alkenyl or C.sub.(1-10) hydroxyalkyl), or carbocyclic or heterocyclic group. At least one of R.sub.1 is NR.sub.3, O or --CHR.sub.4 O--, or R.sub.2 is --A(R.sub.5).sub.m. The compounds and pharmaceutical compositions thereof are useful as therapies for diseases advanced via intracellular signaling through specific intracellular signaling pathways by mediating a signaling response to an external stimuli.

  具有至少一个羧酸、酯或酰胺取代侧链的治疗化合物具有以下公式：CORE MOIETY--(R).sub.j，其中j是从一到三的整数。核心基团是非环状或环状（碳环或杂环）。R可以从氢、卤素、羟基、氨基、取代或未取代的C.sub.(1-10)烷基、C.sub.(2-10)烯基、碳环或杂环基团中选择，至少一个R具有以下公式I：##STR1##其中：一个或两个p是整数一，否则p是二；n是从三到二十的整数；R.sub.1从取代和未取代的CH.sub.2；NR.sub.3中选择，R.sub.3为氢、取代或未取代的C.sub.(1-20)烷基、C.sub.(1-20)烷氧基、C.sub.(2-20)烯基或C.sub.(1-20)羟基烷基，或碳环或杂环基团；O；--CHR.sub.4 O--，R.sub.4为取代或未取代的C.sub.(1-20)烷基、C.sub.(1-20)烷氧基、C.sub.(2-20)烯基、C.sub.(1-20)羟基烷基，或R.sub.2和R.sub.4结合形成具有四到七个环原子的取代或未取代杂环，--CHR.sub.4 O--的醚基--O--是杂环的成员。R.sub.2从氢、卤素、取代或未取代的C.sub.(1-10)烷基、C.sub.(1-10)烷氧基、C.sub.(2-10)烯基、C.sub.(1-10)羟基烷基；--A(R.sub.5).sub.m中选择，A为N或O，m为一或二，R.sub.5为氢、取代或未取代的C.sub.(1-10)烷基、C.sub.(1-10)烷氧基、C.sub.(2-10)烯基或C.sub.(1-10)羟基烷基，或碳环或杂环基团。R.sub.1中至少有一个为NR.sub.3、O或--CHR.sub.4 O--，或R.sub.2为--A(R.sub.5).sub.m。这些化合物及其制药组合物可用作通过介导对外部刺激的信号响应来通过特定细胞内信号传导途径推进的疾病的治疗方法。
• Electrochemical Nozaki–Hiyama–Kishi Coupling: Scope, Applications, and Mechanism
  作者：Yang Gao、David E. Hill、Wei Hao、Brendon J. McNicholas、Julien C. Vantourout、Ryan G. Hadt、Sarah E. Reisman、Donna G. Blackmond、Phil S. Baran

  DOI：10.1021/jacs.1c03007

  日期：2021.6.30

  practical using an electroreductive manifold. Although early studies pointed to the feasibility of such a process, those precedents were never applied by others due to cumbersome setups and limited scope. Here we show that a carefully optimized electroreductive procedure can enable a more sustainable approach to NHK, even in an asymmetric fashion on highly complex medicinally relevant systems. The e-NHK

  最常用的 C-C 键形成方法之一是使用还原歧管，使卤乙烯与 Ni 和 Cr 催化的醛偶联（Nozaki-Hiyama-Kishi，NHK）变得更加实用。尽管早期研究指出了这种过程的可行性，但由于设置繁琐且范围有限，这些先例从未被其他人应用。在这里，我们展示了经过精心优化的电还原程序可以使 NHK 采用更可持续的方法，即使在高度复杂的医学相关系统上以不对称方式也是如此。当传统化学技术失败时，e-NHK 甚至可以使非规范底物类别（例如氧化还原活性酯）参与低负载量的 Cr。详细的动力学、循环伏安法、
• Palladium-Catalyzed Cross-Coupling between Vinyl Halides and <i>tert</i>-Butyl Carbazate:  First General Synthesis of the Unusual <i>N</i>-Boc-<i>N</i>-alkenylhydrazines
  作者：José Barluenga、Patricia Moriel、Fernando Aznar、Carlos Valdés

  DOI：10.1021/ol062726r

  日期：2007.1.1

  N-Boc-N-alkenylhydrazines, an almost unknown type of compounds, have been prepared with high to moderate yields via palladium-catalyzed cross-coupling between alkenyl halides and tert-butyl carbazate. The present methodology represents the first general way to access this highly functionalized and unusual type of hydrazines. [reaction: see text].

  N-Boc-N-烯基肼类化合物（一种几乎未知的化合物）已通过钯催化的烯基卤化物和咔唑叔丁基酯之间的交叉偶联以高到中等的产率制备。本方法学代表了获得这种高度官能化且不寻常类型的肼的第一种通用方法。[反应：请参见文字]。