N,N-diallyl-tert-butylamine | 10601-81-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N,N-diallyl-tert-butylamine
• 英文别名: diallyl tert-butylamine；diallyl-tert-butylamine；N,N-Diallyl-tert-butyl-amin；Diallyl-tert.-butylamin；N,N-diallyl-t-butylamine；2-methyl-N,N-bis(prop-2-enyl)propan-2-amine
• CAS: 10601-81-7
• 化学式: C₁₀H₁₉N
• 分子量: 153.268
• InChiKey: OPEFOCQXYCJLCU-UHFFFAOYSA-N

物化性质

• 沸点：
  51 °C(Press: 2 Torr)
• 密度：
  0.802±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  11
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  N,N-diallyl-tert-butylamine 在 (2,6-((2,6-(diisopropyl)C₆H₃)N=C(CH₂)₃)₂C₅HN)Fe(N₂)₂ 作用下， 以 氘代苯 为溶剂， 以100%的产率得到N-t-butyl-3-azabicyclo[0.2.3]heptane
  参考文献：
  名称：

  Synthesis and Electronic Structure of Bis(imino)pyridine Iron Metallacyclic Intermediates in Iron-Catalyzed Cyclization Reactions

  摘要：

  The bis(imino)pyridine iron dinitrogen compound, ((PDI)-P-iPr(TB))Fe(N-2)(2) ((iPr(TB)) PDI = 2,6-(2,6-Pr-i(2)-C6H3- N=C center dot(CH2)(3))(2)(C5H1N)) is an effective precatalyst for the [2 pi + 2 pi] cycloaddition of diallyl amines as well as the hydrogenative cyclization of N-tosylated enynes and diynes. Addition of stoichiometric quantities of amino-substituted enyne and diyne substrates to ((PDI)-P-iPr(TB))Fe(N-2)(2) resulted in isolation of catalytically competent bis(imino)pyridine iron metallacycle intermediates. A combination of magnetochemistry, X-ray diffraction, and Mossbauer spectroscopic and computational studies established S = 1 iron compounds that are best described as intermediate-spin iron(III) (S-Fe = 3/2) antiferromagnetically coupled to a chelate radical anion (S-PDI = 1/2). Catalytically competent bis(imino)pyridine iron diene and metallacycles relevant to the [2 pi + 2 pi] cycloaddition were also isolated and structurally characterized. The combined magnetic, structural, spectroscopic, and computational data support an Fe(I) Fe(III) catalytic cycle where the bis(imino)pyridine chelate remains in its one-electron reduced radical anion form. These studies revise a previous mechanistic proposal involving exclusively ferrous intermediates and highlight the importance of the redox-active bis(imino)pyridine chelate for enabling catalytic cyclization chemistry with iron.

  DOI：

  10.1021/ja400895j
• 作为产物：
  描述：

  叔丁胺 、 3-溴丙烯 在 sodium hydroxide 作用下， 以 水 为溶剂， 以26%的产率得到N,N-diallyl-tert-butylamine
  参考文献：
  名称：

  带有两个酸位点的分子内路易斯对-P和N基体系之间的反应性差异†

  摘要：

  双酸官能化的苯胺PhN [（CH 2）3 B（C 6 F 5）2 ] 2在中心碱基功能处显示快速交换的硼酸基团，并且由于两个路易斯酸的协同氢化物结合而成为活性的受阻路易斯对。在这里，我们报告了对中心氮原子上不同取代基的影响以及与磷交换氮的影响的研究。用一当量的HB（C 6 F 5）2处理二烯丙基叔丁基苯胺导致形成一个七元氢硼化亚胺基环；单氢硼化后，在闭环作用下，中间形成的受阻的路易斯对与第二烯丙基胺官能团反应。通过二烯丙基苯基膦和二烯丙基叔丁基膦的氢硼化反应制备了具有两个酸位的磷基路易斯对。与苯胺PhN [（CH 2）3 B（C 6 F 5）2 ] 2不同，双氢硼化物种（t Bu / Ph）P [（CH 2）3 B（C 6 F 5）2 ] 2在溶液中未显示出硼路易斯酸官能团的动态交换，并且在H / D加扰和氢化反应方面均没有催化活性。量子化学研究表明，B–P键解离的吉布斯自由能比氮类似物大

  DOI：

  10.1039/c6dt03490j

文献信息

• Cyclisation of α,ω-dienes promoted by bis(indenyl)zirconium sandwich and ansa-titanocene dinitrogen complexes
  作者：Doris Pun、Donald J. Knobloch、Emil Lobkovsky、Paul J. Chirik

  DOI：10.1039/c1dt10149h

  日期：——

  Metallation of a variety of α,ω-dienes has been explored with an η9,η5-bis(indenyl)zirconium sandwich compound and an ansa-titanocene dinitrogen complex. The η9,η5-bis(indenyl)zirconium sandwich compound, (η9-C9H5-1,3-Pr2)(η5-C9H5-1,3-iPr2)Zr, served as an isolable source of Negishi's reagent and readily formed a kinetic mixture of cis and trans diastereomers of the corresponding zirconacyclopentanes

  各种α，ω-二烯的金属化已被探索出来。 η 9，η 5 -双（茚基）合锆夹心化合物和柄-titanocene二氮络合物。这η 9，η 5 -双（茚基）合锆 夹心复合物 （η 9 -C 9 ħ 5 -1,3--PR 2）（η 5 -C 9 ħ 5 -1,3-我镨2）Zr的用作Negishi试剂的可分离来源，并在二烯金属化后容易形成相应的氧化锆环戊烷的顺式和反式非对映异构体的动力学混合物。对于纯烃类基材，例如1,6-庚二烯 和 1,7-辛二烯，等摩尔的顺式和反式非对映异构体是动力学产物；在环境温度下或加热至105℃时，随时间推移分别观察到异构化为热力学上有利的反式异构体。相比之下，亚甲基或乙烯 在α中的间隔基 ω-二烯 与一个 芴基组（例如 9,9-二烯丙基芴）导致反式非对映异构体的排他动力学形成。氨基取代的二烯也容易环化，并且一个实例通过单晶X射线衍射表征。类似的研究也与传导ANSA -ti
• PYRIDAZINONE COMPOUNDS AND P2X7 RECEPTOR INHIBITORS
  申请人：Shigeta Yukihiro

  公开号：US20100286390A1

  公开（公告）日：2010-11-11

  Novel pyridazinone compounds of formula (I), which inhibit the purinergic P2X7 receptor and are useful for prevention, therapy and improvement of inflammatory and immunological diseases.

  化合物(I)是一种新型的吡啶并嗪酮化合物，可以抑制嘌呤能P2X7受体，因此可用于预防、治疗和改善炎症和免疫性疾病。
• Electronic Structure Determination of Pyridine N-Heterocyclic Carbene Iron Dinitrogen Complexes and Neutral Ligand Derivatives
  作者：Jonathan M. Darmon、Renyuan Pony Yu、Scott P. Semproni、Zoë R. Turner、S. Chantal E. Stieber、Serena DeBeer、Paul J. Chirik

  DOI：10.1021/om500727t

  日期：2014.10.13

  acceptor and the iron being viewed as a hybrid between low-spin Fe(0) and Fe(II) oxidation states. This electronic description has been supported by spectroscopic data and DFT calculations. Addition of N,N-diallyl-tert-butylamine to (iPrCNC)Fe(N2)2 yielded the corresponding iron diene complex. Elucidation of the electronic structure again revealed the CNC chelate acting as a π acceptor with no evidence for

  结合光谱和计算方法研究了吡啶 N-杂环二碳烯 ( iPr CNC) 铁配合物的电子结构。这些研究的目的是确定这种螯合物是否在还原的贱金属化合物中参与自由基化学。铁二氮实例 ( iPr CNC)Fe(N 2 ) 2和相关的吡啶衍生物 ( iPr CNC)Fe(DMAP)(N 2 ) 通过 NMR、穆斯堡尔和 X 射线吸收光谱进行了研究，最好将其描述为氧化还原带有iPr 的非无辜化合物CNC 螯合物用作经典的 π 受体，而铁被视为低自旋 Fe(0) 和 Fe(II) 氧化态之间的混合体。这种电子描述得到了光谱数据和 DFT 计算的支持。的加成Ñ，Ñ -diallyl-叔丁胺至（的iPr CNC）的Fe（N 2）2得到相应的铁二烯络合物。电子结构的阐明再次揭示了 CNC 螯合物充当 π 受体，没有证据表明存在以配体为中心的自由基。这种基态与类似的双（亚氨基）吡啶铁配合物的情况相反，可能是缺乏催化
• Abrasive, abrasive set, and method for polishing substrate
  申请人：HITACHI CHEMICAL COMPANY, LTD.

  公开号：US10030172B2

  公开（公告）日：2018-07-24

  A polishing agent comprises: a fluid medium; an abrasive grain containing a hydroxide of a tetravalent metal element; a first additive; a second additive; and a third additive, wherein: the first additive is at least one selected from the group consisting of a compound having a polyoxyalkylene chain and a vinyl alcohol polymer; the second additive is a cationic polymer; and the third additive is an amino group-containing sulfonic acid compound.

  一种抛光剂包括：一种流体介质；一种含有四价金属元素氢氧化物的磨粒；一种第一添加剂；一种第二添加剂；以及一种第三添加剂，其中：第一添加剂至少是从具有聚氧亚烷基链的化合物和乙烯醇聚合物组成的组中选出的一种；第二添加剂是一种阳离子聚合物；以及第三添加剂是一种含氨基的磺酸化合物。
• Methods to induce targeted protein degradation through bifunctional molecules
  申请人：Dana-Farber Cancer Institute, Inc.

  公开号：US10464925B2

  公开（公告）日：2019-11-05

  The present application provides bifunctional compounds which act as protein degradation inducing moieties. The present application also relates to methods for the targeted degradation of endogenous proteins through the use of the bifunctional compounds that link a cereblon-binding moiety to a ligand that is capable of binding to the targeted protein which can be utilized in the treatment of proliferative disorders. The present application also provides methods for making compounds of the application and intermediates thereof.

  本申请提供了作为蛋白质降解诱导分子的双功能化合物。本申请还涉及通过使用双官能化合物靶向降解内源性蛋白质的方法，该双官能化合物将脑龙结合分子与能够与靶向蛋白质结合的配体连接起来，可用于治疗增殖性疾病。本申请还提供了制造本申请化合物及其中间体的方法。