二丙丁胺 | 61822-36-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 二丙丁胺
• 中文别名: 双丙丁胺
• 英文名称: 4-propylheptan-4-amine
• 英文别名: tri-n-propylmethylamine；1,1-di-n-propyl-n-butylamine；Diprobutine；1,1-dipropyl-butylamine；4-Amino-4-propyl-heptan；Tripropylmethylamin
• CAS: 61822-36-4
• 化学式: C₁₀H₂₃N
• mdl: MFCD00868372
• 分子量: 157.299
• InChiKey: VQIAWQKBOAUGHE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  11
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  26
• 氢给体数：
  1
• 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：

  二丙丁胺 在 lithium aluminium tetrahydride 作用下， 生成 3-(1,1-Dipropylbutylamino)propanol
  参考文献：
  名称：

  Pigerol; Vernieres; Broll, European Journal of Medicinal Chemistry, 1977, vol. 12, # 4, p. 351 - 359

  摘要：

  DOI：
• 作为产物：
  描述：

  4-azido-4-propylheptane 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 生成 二丙丁胺
  参考文献：
  名称：

  A Study of the Activity of Adamantyl Amines against Mutant Influenza A M2 Channels Identified a Polycyclic Cage Amine Triple Blocker, Explored by Molecular Dynamics Simulations and Solid‐State NMR**

  摘要：

  摘要 我们比较了57种金刚烷胺及其类似物对具有丝氨酸-31 M2质子通道（通常称为WT M2通道，对金刚烷胺敏感）的甲型流感病毒的抗流感病毒效力。我们还测试了其中一部分化合物对金刚烷胺耐药的 L26F、V27A、A30T、G34E M2 突变通道病毒的抑制作用。四种化合物在体外抑制 WT M2 病毒的效力为中等纳摩尔，27 种化合物的效力为亚微摩尔至低微摩尔。有几种化合物在体外以亚微摩尔至低微摩尔的效力抑制 L26F M2 病毒，但根据电生理学（EP）测定，只有三种化合物阻断了 L26F M2 介导的质子电流。通过 EP 试验发现，一种化合物是 WT、L26F 和 V27A M2 通道的三重阻断剂，但在体外不抑制 V27A M2 病毒；一种化合物在体外抑制 WT、L26F 和 V27A M2，但不阻断 V27A M2 通道。一种化合物通过 EP 只阻断了 L26F M2 通道，但没有抑制病毒复制。分子动力学模拟显示，这种三重阻断剂化合物的长度与利曼他定相当，但由于其周长更大，可以结合并阻断 V27A M2 通道，而 MAS NMR 则显示了该化合物与 M2(18-60) WT 或 L26F 或 V27A 的相互作用。

  DOI：

  10.1002/cmdc.202300182

文献信息

• Secondary amines
  申请人：Labaz

  公开号：US04201725A1

  公开（公告）日：1980-05-06

  Methylamine derivatives of the formula: ##STR1## and pharmaceutically acceptable acid addition salts thereof, wherein R.sub.1 and R.sub.3 each represent a hydrogen atom or a straight- or branched-chain alkyl, alkenyl or alkynyl radical containing from 1 to 6 carbon atoms, R.sub.2 represents a straight- or branched-chain alkyl, alkenyl or alkynyl radical containing from 2 to 7 carbon atoms with the proviso that when R.sub.2 represents an alkenyl radical of the formula CH.dbd.CH--R.sub.6 or an alkynyl radical of the formula C.tbd.C--R.sub.6, in which R.sub.6 represents a hydrogen atom or a straight- or branched-chain alkyl radical of 1 to 5 carbon atoms, R.sub.1 and R.sub.3 each represent an atom of hydrogen or an alkyl radical, R.sub.4 and R.sub.5, which are the same or different, each respresent a hydrogen atom, a straight- or branched-chain alkyl, alkenyl or alkynyl radical containing from 1 to 5 carbon atoms or an .omega.-hydroxyalkyl radical containing from 2 to 5 carbon atoms or R.sub.4 and R.sub.5, when they are taken together represent an alkylene radical containing from 2 to 6 carbon atoms, an alkylidene radical containing from 1 to 5 carbon atoms or the radical --CH.sub.2 --CH.sub.2 --O--CH.sub.2 --CH.sub.2 --, R.sub.1, R.sub.2 and R.sub.3 being such that the trisubstituted methylamine radical possesses no more than 13 carbon atoms. They are useful for treating Parkinson's disease and for correcting extra-pyramidal disturbances provoked by neuroleptics.

  甲基胺衍生物的公式为：##STR1##以及药学上可接受的酸加成盐，其中R.sub.1和R.sub.3各自代表一个氢原子或一个含有1至6个碳原子的直链或支链烷基、烯基或炔基自由基，R.sub.2代表一个含有2至7个碳原子的直链或支链烷基、烯基或炔基自由基，条件是当R.sub.2代表一个公式为CH.dbd.CH--R.sub.6的烯基自由基或一个公式为C.tbd.C--R.sub.6的炔基自由基时，其中R.sub.6代表一个氢原子或一个含有1至5个碳原子的直链或支链烷基自由基，R.sub.1和R.sub.3各自代表一个氢原子或一个烷基自由基，R.sub.4和R.sub.5相同或不同，各自代表一个氢原子，一个含有1至5个碳原子的直链或支链烷基、烯基或炔基自由基，或一个含有2至5个碳原子的ω-羟基烷基自由基，或者R.sub.4和R.sub.5共同代表一个含有2至6个碳原子的亚烷基自由基，一个含有1至5个碳原子的亚烷基自由基或自由基--CH.sub.2 --CH.sub.2 --O--CH.sub.2 --CH.sub.2 --，R.sub.1、R.sub.2和R.sub.3使得三取代甲基胺自由基最多含有13个碳原子。它们可用于治疗帕金森病，并用于纠正由神经阻滞剂引起的锥体外系扰动。
• Active derivatives of methylamine in therapeutic compositions and
  申请人：Labaz

  公开号：US04057644A1

  公开（公告）日：1977-11-08

  Methylamine derivatives of the formula: ##STR1## and pharmaceutically acceptable acid addition salts thereof, wherein R.sub.1 and R.sub.3 each represent a hydrogen atom or a straight- or branched-chain alkyl, alkenyl or alkynyl radical containing from 1 to 6 carbon atoms, R.sub.2 represents a straight- or branched-chain alkyl, alkenyl or alkynyl radical containing from 2 to 7 carbon atoms with the proviso that when R.sub.2 represents an alkenyl radical of the formula CH.dbd.CH--R.sub.6 or an alkynyl radical of the formula C.tbd.C--R.sub.6, in which R.sub.6 represents a hydrogen atom or a straight- or branched-chain alkyl radical of 1 to 5 carbon atoms, R.sub.1 and R.sub.3 each represent an atom of hydrogen or an alkyl radical, R.sub.4 and R.sub.5, which are the same or different, each represent a hydrogen atom, a straight- or branched-chain alkyl, alkenyl or alkynyl radical containing from 1 to 5 carbon atoms or an .omega.-hydroxyalkyl radical containing from 2 to 5 carbon atoms or R.sub.4 and R.sub.5, when they are taken together represent an alkylene radical containing from 2 to 6 carbon atoms, an alkylidene radical containing from 1 to 5 carbon atoms or the radical --CH.sub.2 --CH.sub.2 --O--CH.sub.2 --CH.sub.2 --, R.sub.1, R.sub.2 and R.sub.3 being such that the trisubstituted methylamine radical possesses no more than 13 carbon atoms. They are useful for treating Parkinson's disease and for correcting extra-pyramidal disturbances provoked by neuroleptics.

  Methylamine derivatives of the formula: ##STR1## and pharmaceutically acceptable acid addition salts thereof, wherein R.sub.1 and R.sub.3 each represent a hydrogen atom or a straight- or branched-chain alkyl, alkenyl or alkynyl radical containing from 1 to 6 carbon atoms, R.sub.2 represents a straight- or branched-chain alkyl, alkenyl or alkynyl radical containing from 2 to 7 carbon atoms with the proviso that when R.sub.2 represents an alkenyl radical of the formula CH.dbd.CH--R.sub.6 or an alkynyl radical of the formula C.tbd.C--R.sub.6, in which R.sub.6 represents a hydrogen atom or a straight- or branched-chain alkyl radical of 1 to 5 carbon atoms, R.sub.1 and R.sub.3 each represent an atom of hydrogen or an alkyl radical, R.sub.4 and R.sub.5, which are the same or different, each represent a hydrogen atom, a straight- or branched-chain alkyl, alkenyl or alkynyl radical containing from 1 to 5 carbon atoms or an .omega.-hydroxyalkyl radical containing from 2 to 5 carbon atoms or R.sub.4 and R.sub.5, when they are taken together represent an alkylene radical containing from 2 to 6 carbon atoms, an alkylidene radical containing from 1 to 5 carbon atoms or the radical --CH.sub.2 --CH.sub.2 --O--CH.sub.2 --CH.sub.2 --, R.sub.1, R.sub.2 and R.sub.3 being such that the trisubstituted methylamine radical possesses no more than 13 carbon atoms. They are useful for treating Parkinson's disease and for correcting extra-pyramidal disturbances provoked by neuroleptics.
• Approaches to primary tert-alkyl amines as building blocks
  作者：Christina Tzitzoglaki、Antonios Drakopoulos、Athina Konstantinidi、Ioannis Stylianakis、Marianna Stampolaki、Antonios Kolocouris

  DOI：10.1016/j.tet.2019.06.016

  日期：2019.8

  Primary tert-alkyl amines include analogues of amantadine, a fragment commonly linked to pharmacophoric groups to enhance biological activity. The preparation of primary tert-alkyl amines is considered to be a difficult problem. Four synthetic procedures, some of which have been previously reported for the synthesis of amines with primary (RCH2NH2) or secondary (RR'CHNH2) alkyl and/or aryl groups,

  初级叔烷基胺包括金刚烷胺的类似物，通常连接到药效基团的片段，以提高生物活性。伯叔烷基胺的制备被认为是一个难题。四个合成步骤，其中一些已经用于与胺的合成已有报道初级（RCH 2 NH 2）或仲（RR'CHNH 2）烷基和/或芳基，伯合成进行了测试叔烷基胺（RR'R''CNH 2）包括金刚烷加合物在内的脂族系列。这些程序包括在形成和还原的叔烷基叠氮化物，在标准和改良条件Ritter反应，在加入有机金属试剂以ñ -叔丁基亚磺酰基酮亚胺和一锅在路易斯酸的存在下，Τi（IPRO）腈和有机金属试剂之间的反应4或CeCl 3.对于伯叔烷基胺，尚未开发这些合成途径。当前缺乏对伯叔烷基胺的合成路线的研究。研究了每种方法的反应条件和底物限制，第一种方法是最通用的方法，也适用于带有大分子加合物的化合物。
• Urea derivatives to treat anxiety and aggressivity
  申请人：Labaz

  公开号：US04223041A1

  公开（公告）日：1980-09-16

  Urea derivatives of the formula: ##STR1## wherein R.sub.1, R.sub.2 and R.sub.3, which are the same or different, each represent a straight- or branched-chain alkyl, alkenyl or alkynyl radical having from 1 to 5 carbon atoms, R.sub.4 and R.sub.5, which are the same or different, each represent a hydrogen atom or a straight- or branched-chain alkyl, alkenyl or alkynyl radical having from 1 to 5 carbon atoms, R.sub.1, R.sub.2 and R.sub.3 being such that: (a) only one of these radicals can represent an alkenyl or alkynyl group having an unsaturated bond in the .alpha.,.beta.-position with respect to the methylurea radical, in this case, each of the other two substituents represents an alkyl radical, (b) the sum of their carbon atoms is never inferior to 4. They are useful as anxiolytic and antiagressive agents.

  尿素衍生物的化学式如下：##STR1## 其中R.sub.1、R.sub.2和R.sub.3，它们相同或不同，分别代表具有1至5个碳原子的直链或支链烷基、烯基或炔基基团，R.sub.4和R.sub.5，它们相同或不同，分别代表氢原子或具有1至5个碳原子的直链或支链烷基、烯基或炔基基团，R.sub.1、R.sub.2和R.sub.3的条件为：(a) 这些基团中只有一个可以代表具有与甲基脲基相对的α、β-位置上的不饱和键的烯基或炔基团，在这种情况下，其他两个取代物分别代表烷基基团，(b) 它们的碳原子总数永远不少于4。它们可用作抗焦虑和抗攻击剂。
• MANUFACTURING METHOD FOR COMPOUND HAVING N,N-BIS(2-HYROXY-3-CHLOROPROPYL)AMINO GROUP
  申请人：Toray Fine Chemicals Co., Ltd.

  公开号：US20180030013A1

  公开（公告）日：2018-02-01

  A method efficiently and safely manufactures, on an industrial scale, a compound having an N,N-bis(2-hydroxy-3-chloropropyl)amino group. (1) an amine compound or a solution thereof, (2) epichlorohydrin or a solution thereof, and (3) an acidic compound or a solution thereof are continuously supplied to a flow reactor and reacted at a reaction temperature of 40 to 130° C. and a liquid space velocity of 0.2 to 10 h −1 so that a compound having an N,N-bis(2-hydroxy-3-chloropropyl)amino group is manufactured. The obtained compound having an N,N-bis(2-hydroxy-3-chloropropyl)amino group is dehydrochlorinated by reaction with an alkali so that a polyfunctional glycidylamine type epoxy compound is manufactured.

  一种高效且安全地在工业规模上制造具有N,N-双(2-羟基-3-氯丙基)氨基基团的化合物的方法。将胺化合物或其溶液，环氧氯丙烷或其溶液，以及酸性化合物或其溶液连续供给到流动反应器中，在40至130°C的反应温度和0.2至10 h−1的液体空间速度下反应，从而制造出具有N,N-双(2-羟基-3-氯丙基)氨基基团的化合物。通过与碱反应将获得的具有N,N-双(2-羟基-3-氯丙基)氨基基团的化合物脱氯化，从而制造出一种多功能环氧化胺型环氧化合物。