N,N-二(2-氯乙基)-1,1-二甲基乙烷-1-胺 | 10125-86-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: N,N-二(2-氯乙基)-1,1-二甲基乙烷-1-胺
• 英文名称: tert-butyl-bis-(2-chloro-ethyl)-amine
• 英文别名: tert-butyl-bis-(2-chloro-ethyl)-amine；tert-Butyl-bis-(2-chlor-aethyl)-amin；N,N-bis(2-chloroethyl)-2-methylpropan-2-amine；bis(2-chloroethyl)(tert-butyl)amine；bis-(2-chloroethyl)-tert-butylamine；tert-butyl-bis-(2-chloroethyl)amine；Triethylamine, 2',2''-dichloro-1,1-dimethyl-
• CAS: 10125-86-7
• 化学式: C₈H₁₇Cl₂N
• 分子量: 198.136
• InChiKey: BSXSSXPCEVBUSF-UHFFFAOYSA-N

物化性质

• 沸点：
  324.35°C (rough estimate)
• 密度：
  1.1707 (rough estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  11
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2921199090

反应信息

• 作为反应物：
  描述：

  N,N-二(2-氯乙基)-1,1-二甲基乙烷-1-胺 在 potassium carbonate 、 tin(ll) chloride 作用下， 以 盐酸 、 N,N-二甲基甲酰胺 为溶剂， 反应 7.0h， 生成 N-tert-butylbisbis[2-(o-aminophenoxy)ethyl]amine
  参考文献：
  名称：

  Phenol-Containing Macrocyclic Diamides as New Catalysts in the Highly Regioselective Conversion of Epoxides to β-Hydroxy Thiocyanates

  摘要：

  The regioselective ring-opening reactions of some epoxides with ammonium thiocyanate in the presence of a series of new phenol-containing macrocyclic diamides and also dibenzo-18-crown-6-, 18-crown-6-, benzo-15-crown-5-, and pyridine-containing macrocyclic diamide have been studied. The epoxides were subject to cleavage by NH4SCN in the presence of these catalysts under mild reaction conditions in various aprotic solvents. In this study, reagents and conditions have been discovered with which the individual beta -hydroxy thiocyanates can be synthesized in high yield and with more than 90% regioselectivity. The results can be discussed in terms of a four-step mechanism: (1) formation of complex between catalyst and NH4SCN, (2) release of SCN- nucleophile from the complex, (3) reaction of the active nucleophile at the less sterically hindered site in the epoxide, and (4) regeneration of catalyst. The major advantages of this method are as follows: (1) high regioselectivity, (2) simple regeneration of catalyst, (3) its reuse through several cycles without a decrease in activity, and (4) ease of workup of the reaction.

  DOI：

  10.1021/jo0103266
• 作为产物：
  描述：

  叔丁基二乙醇胺 以99%的产率得到N,N-二(2-氯乙基)-1,1-二甲基乙烷-1-胺
  参考文献：
  名称：

  N-hydroxy-2-(Alkyl,Aryl or Heteroaryl sulfanyl, sulfinyl or sulfonyl) 3-substituted alkyl, aryl or heteroarylamides as matrix metalloproteinase inhibitors

  摘要：

  翻译结果如下： 基质金属蛋白酶（MMps）是一组与连接组织和基底膜病理破坏有关的酶。这些含有锌的内切肽酶包括几个酶亚组，如胶原酶、溶素和明胶酶。肿瘤坏死因子-α转化酶（TACE），一种促炎症细胞因子，催化膜结合的肿瘤坏死因子-α前体蛋白形成肿瘤坏死因子-α。因此，人们预期基质金属蛋白酶（MMPs）和TACE的小分子抑制剂可能具有治疗多种疾病状态的前景。本发明提供了低分子量、非肽类的基质金属蛋白酶（MMPs）和肿瘤坏死因子-α转化酶（TACE）的抑制剂，用于治疗关节炎、肿瘤转移、组织溃疡、异常伤口愈合、牙周病、骨病、糖尿病（胰岛素抵抗）和HIV感染。本发明中的化合物由以下公式表示： 其中R1、R2、R3和R4在本说明书中有所描述。

  公开号：

  US06342508B1

文献信息

• BENZOXAZEPIN COMPOUNDS SELECTIVE FOR PI3K P110 DELTA AND METHODS OF USE
  申请人：Heffron Timothy

  公开号：US20120245144A1

  公开（公告）日：2012-09-27

  Benzoxazepin Formula I compounds, including stereoisomers, geometric isomers, tautomers, metabolites and pharmaceutically acceptable salts thereof, are useful for inhibiting the delta isoform of PI3K, and for treating disorders mediated by lipid kinases such as inflammation, immunological disorders, and cancer. Methods of using compounds of Formula I for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such disorders in mammalian cells, or associated pathological conditions, are disclosed.

  本句翻译为中文是：苯并恶唑啉I型化合物，包括立体异构体、几何异构体、互变异构体、代谢物以及药学上可接受的盐，对于抑制PI3K的δ异构体以及治疗由脂质激酶介导的疾病如炎症、免疫疾病和癌症是有用的。公开了使用I型化合物公式进行体外、原位和体内诊断、预防或治疗哺乳动物细胞中此类疾病或相关病理状况的方法。
• [EN] ARYLSULFONYLHYDROXAMIC ACID AND AMIDE DERIVATIVES AND THEIR USE AS PROTEASE INHIBITORS<br/>[FR] DERIVES AMIDE ET ACIDE ARYLSULFONYLHYDROXAMIQUE, UTILISATION DE CES DERNIERS EN TANT QU'INHIBITEURS DE PROTEASES
  申请人：PHARMACIA CORP

  公开号：WO2004000811A1

  公开（公告）日：2003-12-31

  This invention is directed generally to hydroxamic acid and amide compounds (including salts of such compounds), and, more particularly, to aryl- and heteroaryl-­arylsulfonylmethyl hydroxamic acids and amides that, inter alia, inhibit protease activity, particularly matrix metalloproteinase (also known as 'matrix metalloprotease' or 'MMP') activity and/or aggrecanase activity. These compounds generally correspond in structure to formula (I): wherein Al, A2, A3, El, E2, E3, and E4 are as defined in this patent. This invention also is directed to compositions of such compounds, intermediates for the syntheses of such compounds, methods for making such compounds, and methods for treating conditions associated with MMP activity and/or aggrecanase activity, particularly pathological conditions.

  这项发明通常涉及羟肟酸和酰胺化合物（包括这些化合物的盐），更具体地涉及芳基和杂环芳基磺酰甲基羟肟酸和酰胺，这些化合物在某些情况下抑制蛋白酶活性，特别是基质金属蛋白酶（也称为“基质金属蛋白酶”或“MMP”）活性和/或聚集素酶活性。这些化合物通常在结构上对应于式（I）：其中Al、A2、A3、El、E2、E3和E4如本专利中所定义。这项发明还涉及这些化合物的组合物、合成这些化合物的中间体、制备这些化合物的方法，以及治疗与MMP活性和/或聚集素酶活性相关的病症的方法。
• [EN] PYRAZOLOPYRIMIDINE MACROCYCLES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION<br/>[FR] MACROCYCLES DE PYRAZOLOPYRIMIDINE UTILISÉS EN TANT QU'INHIBITEURS DE LA RÉPLICATION DU VIRUS DE L'IMMUNODÉFICIENCE HUMAINE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2015126743A1

  公开（公告）日：2015-08-27

  The disclosure generally relates to compounds of formula I, including compositions and methods for treating human immunodeficiency virus (HIV) infection. The disclosure provides novel inhibitors of HIV integrase, pharmaceutical compositions containing such compounds, and methods for using these compounds in the treatment of HIV infection.

  本公开通常涉及公式I的化合物，包括用于治疗人类免疫缺陷病毒（HIV）感染的组合物和方法。本公开提供了新的HIV整合酶抑制剂，包含此类化合物的药物组合物，以及使用这些化合物治疗HIV感染的方法。
• Phosphorus–nitrogen–phosphorus ligands: cooperative effects between nitrogen and phosphorus substituents on catalytic activity
  作者：Sébastien L. Parisel、Neil D. Moorcroft、Anny Jutand、David J. Aldous、King Kuok (Mimi) Hii

  DOI：10.1039/b312702h

  日期：——

  A new generation of PNP compounds bearing different diarylphosphine groups were prepared and used as ligands in palladium-catalysed Suzuki cross-coupling reactions. Rates of oxidative addition of iodobenzene to (PNP)Pd[0] complexes were measured using UV spectroscopy. Synergistic effects between the N- and P- substituents were identified and correlated in redox and catalytic chemistry.

  制备了含有不同二芳基膦基团的新一代PNP化合物，并将其作为配体用于钯催化的Suzuki交叉耦合反应中。利用紫外光谱测定了碘苯向(PNP)Pd[0]配合物的氧化加成速率。发现了N-和P-取代基之间的协同效应，并在氧化还原和催化化学中进行了关联。
• Process for making 11-piperazino-diazepines, oxazepines, thiazepines and
  申请人：Sandoz, Inc.

  公开号：US03962248A1

  公开（公告）日：1976-06-08

  This invention concerns a novel process for the preparation of 6-piperazinyl derivatives of morphantridine and corresponding ring-substituted and hereto analogues thereof, comprising reacting a compound of the formula: ##SPC1## Wherein A is benzene or thiophene, and X is --CH.sub.2 -- or a hetero atom or group, with a complex comprising titanium, zirconium, hafnium or vanadium and a corresponding piperazinyl derivative. The end products are in general known and useful as neuroleptics.

  这项发明涉及一种新颖的制备6-哌嗪基吗啡三啶及其对应的环取代和对应的类似物的方法，包括将具有以下结构的化合物与含有钛、锆、铪或钒的复合物以及相应的哌嗪基衍生物反应：##SPC1## 其中A为苯或噻吩，X为--CH.sub.2--或杂原子或基团。最终产物通常为已知的神经阻滞剂，并具有实用价值。