N,N'-二甲基-1,4-丁二胺 | 16011-97-5

• 物质功能分类: 有机原料 - 氨基化合物
• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: N,N'-二甲基-1,4-丁二胺
• 中文别名: N,N’-二甲基-1,4-丁烷二胺；N,N'-二甲基-1,4-丁烷二胺；N,N"-二甲基-1,4-丁烷二胺；N,N-二甲基1,4-丁烷二胺
• 英文名称: N,N'-dimethyl-1,4-butanediamine
• 英文别名: N,N'-dimethylbutane-1,4-diamine；1,4-Bis(methylamino)butan；N,N'-dimethyl-1,4-diaminobutane；N,N'-Dimethyl-1,4-diamino-butan
• CAS: 16011-97-5
• 化学式: C₆H₁₆N₂
• mdl: MFCD00039799
• 分子量: 116.206
• InChiKey: CZPRYVBLOUZRGD-UHFFFAOYSA-N

物化性质

• 沸点：
  168 °C
• 密度：
  0.800±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  8
• 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：
  24.1
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2921290000
• 包装等级：
  II
• 危险类别：
  8
• 危险性防范说明：
  P260,P280,P284,P305+P351+P338,P310
• 危险品运输编号：
  3265
• 危险性描述：
  H226,H302+H312,H314,H330
• 储存条件：
  室温且干燥

反应信息

• 作为反应物：
  描述：

  N,N'-二甲基-1,4-丁二胺 在 氧化亚氮 作用下， 以 乙腈 为溶剂， 反应 23.0h， 以85%的产率得到1-hydroxy-2-oxo-3-(N-methyl-3-aminobutyl)-3-methyl-1-triazene
  参考文献：
  名称：

  New nitric oxide-releasing zwitterions derived from polyamines

  摘要：

  The reaction of nitric oxide (NO) with polyamines has been studied, resulting in the discovery of a new type of NO-releasing compound having the structure RN[N(O)NO]-(CH2)xNH2+R' (3). Numerous examples of these zwitterionic polyamine/NO adducts have been prepared and found to be very stable solids which release NO in solution. The new compounds contain as much as 45% NO by weight and are capable of releasing it all at rates which have been shown to vary in a predictable way with structure. The half-lives in buffered aqueous solution at pH 7.4 and 22-degrees-C were shown to vary from extremely short (1.3 min for diamine 8, MeN[N(O)NO]-(CH2)4NH2+Me) to very long (56 h for triamine 18, H2NCH2CH2N[N(O)NO]-CH2CH2NH3+). In general, the longest half-lives were achieved by triamine/NO adducts and derivatives of ethylenediamine (x = 2). For any given value of x, a small increase in the size of R resulted in a relatively large increase in half-life but changes in R' appeared to have little effect. Data are presented which should allow the selection of the proper compounds to achieve a wide range of desired NO generation rates. These NO-containing zwitterions should prove to be important resources in studies of the biology of NO and may also have important pharmaceutical and chemical applications.

  DOI：

  10.1021/jo00058a030
• 作为产物：
  描述：

  N,N'-二-BOC-1,4-丁二胺 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 18.5h， 以98%的产率得到N,N'-二甲基-1,4-丁二胺
  参考文献：
  名称：

  Local anesthetic compounds and uses

  摘要：

  本发明揭示了用于产生长时期局部麻醉的新化合物、药物组合物和方法。本发明的化合物是多结合化合物，包括从2到10个配体共价连接到一个或多个连接物的结构，每个配体能够结合到电压门控Na+通道中的一个配体结合位点，以调节其生物过程/功能。

  公开号：

  US06337423B1

文献信息

• Cyclic urea and thiourea derivatives as inducers of murine erythroleukemia differentiation
  作者：Chau-Der Li、Sharon L. Mella、Alan C. Sartorelli

  DOI：10.1021/jm00141a015

  日期：1981.9

  differentiation of Friend erythroleukemia cells, has been synthesized and tested for its capacity to induce erythroid maturation, as measured by the synthesis of hemoglobin. Cyclic urea and thiourea derivatives consisting of five-, six-, and seven-membered ring systems containing N-alkyl substituents were prepared. Most of these agents were relatively effective inducers od differentiation, with N-alkyl

  已经合成了一系列的四甲基脲衍生物，它是Friend红白血病细胞分化的已知诱导剂，并通过血红蛋白的合成进行了测试，测试了其诱导红系成熟的能力。制备了由含有N-烷基取代基的五元，六元和七元环系统组成的环状脲和硫脲衍生物。这些药物大多数是相对有效的分化诱导剂，N-烷基取代似乎是最大反应所必需的。开发出的最有效的试剂是N，N'-二甲基环状脲。暴露于2至4 mM的这些衍生物的浓度导致90％以上的细胞群体达到分化状态。在这些条件下，母体化合物四甲基脲的功效稍差，
• Phosphino-amine (PN) Ligands for Rapid Catalyst Discovery in Ruthenium-Catalyzed Hydrogen-Borrowing Alkylation of Anilines: A Proof of Principle
  作者：Lewis Marc Broomfield、Yichen Wu、Eddy Martin、Alexandr Shafir

  DOI：10.1002/adsc.201500562

  日期：2015.11.16

  A general synthetic protocol for the synthesis of simple phosphino-amine (PN) ligands is described with 19 ligands being isolated in good yields. High-throughput ligand screening uncovered the success of two of these ligands for aromatic amine alkylations via ruthenium-catalyzed hydrogen borrowing reactions. The combination of N,N′-bis(diphenylphosphino)-N,N′-dimethylpropylenediamine with a ruthenium(II)

  描述了用于合成简单膦胺（PN）配体的一般合成方案，其中以高收率分离出19个配体。高通量配体筛选揭示了其中两个配体通过钌催化的氢借位反应成功用于芳族胺烷基化的过程。的组合Ñ，N' -双（二苯基膦基） - ñ，N'具有钌（II）源和氢氧化钾（15摩尔％）的-二甲基丙二胺是芳香胺选择性单苄基化的最佳体系（方法A）。在温和的反应条件下（120°C和1.05当量的苄醇）形成14种仲芳族胺，已获得超过70％的分离产率。另一方面，N，N-双（二苯基膦基）-异丙胺是用于芳香胺的选择性单甲基化和单乙基化反应的配体（方法B）。在此，将醇作为反应介质和底物加入，并且公开了9个实施例，所有分离的产率均超过70％。这些方法已应用于基于氨基二茂铁的重要合成构件的合成。
• [EN] METHOD FOR PATHOGENS, MICROORGANISMS, AND PARASITES INACTIVATION<br/>[FR] PROCÉDÉ D'INACTIVATION DE PATHOGÈNES, DE MICROORGANISMES ET DE PARASITES
  申请人：ZATA PHARMACEUTICALS INC

  公开号：WO2020023881A1

  公开（公告）日：2020-01-30

  The invention provides a method for inactivation or reduction of pathogens, microorganisms or parasites in a sample, media, composition, utility, device, surface or organism by treatment with an alkylating compound of Structure I, followed by elimination or reduction of the residual compound with Structure I by treatment with a neutralizing agent, which eliminates or reduces the toxicity or other undesirable properties of the alkylating compound with Structure I. The neutralizing agent may be present in a treatment solution or be part of a solid-phase agent, and preferably acts by eliminating the alkylating properties of the compound of Structure I.

  该发明提供了一种通过使用结构I的烷基化合物处理样品、介质、组合物、实用工具、设备、表面或生物体，然后通过使用中和剂消除或减少残留的结构I化合物，从而消除或减少结构I烷基化合物的毒性或其他不良特性的方法。中和剂可以存在于处理溶液中或作为固相剂的一部分，并且最好通过消除结构I化合物的烷基化性质来起作用。
• Chiral Phosphoramide-Catalyzed Enantioselective Addition of Allylic Trichlorosilanes to Aldehydes. Preparative Studies with Bidentate Phosphorus-Based Amides
  作者：Scott E. Denmark、Jiping Fu、Michael J. Lawler

  DOI：10.1021/jo052203h

  日期：2006.2.1

  that more than one Lewis basic moiety (phosphoramide) is involved in the rate- and stereochemistry-determining step of enantioselective allylation, bidentate chiral phosphoramides were developed. Different chiral phosphoramide moieties were connected by tethers of methylene chains of varying length. The rate and enantioselectivity of allylation with allyltrichlorosilane promoted by the bidentate phosphoramides

  基于机械学的见解，即对映选择性烯丙基化的速率和立体化学决定步骤涉及多个路易斯基本部分（磷酰胺），开发了二齿手性磷酰胺。通过不同长度的亚甲基链的束缚连接不同的手性磷酰胺部分。发现由二齿磷酰胺促进的与烯丙基三氯硅烷的烯丙基化的速率和对映选择性高度依赖于系链长度。设计了一种新的基于2,2'-双吡咯烷骨架的磷酰胺，在烯丙基化反应中具有良好的收率，有效的转化率和高的对映选择性。对映体纯的2,2'-双吡咯烷的合成很容易通过吡咯烷的光二聚化，然后用四氢呋喃进行拆分而大规模完成。l（或d）酒石酸。用各种取代的烯丙基三氯硅烷和不饱和醛检查了烯丙基化反应的范围。通过添加不对称的γ-二取代的烯丙基三氯硅烷，该方法已应用于立体异构的季中心的构建。
• Pyrrolopyridinylpyrimidin-2-ylamine derivatives
  申请人：Wucherer-Plietker Margarita

  公开号：US20110218198A1

  公开（公告）日：2011-09-08

  Compounds of the formula I in which X, R 1 , R 2 , R 3 , R 4 and R 6 have the meanings indicated in Claim 1 , are inhibitors of cell proliferation/cell vitality and can be employed for the treatment of tumours.

  公式I中X、R1、R2、R3、R4和R6具有权利要求书中指示的含义，是细胞增殖/细胞活力的抑制剂，可用于肿瘤的治疗。