N-甲基-1-丁胺 | 6973-82-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: N-甲基-1-丁胺
• 英文名称: butylmethylammonium chloride
• 英文别名: N-methylbutylamine hydrochloride；butylmethylamine hydrochloride；N,N-methylbutylammonium chloride；methyl-butyl amine hydrochloride salt；NHBuMe*HCl；1-Butyl-3-methylammonium chloride；butyl(methyl)azanium;chloride
• CAS: 6973-82-6
• 化学式: C₅H₁₃N*ClH
• 分子量: 123.626
• InChiKey: AOZISORLJJDLBQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.43
• 重原子数：
  7
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  12
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  N-甲基-1-丁胺 、 (6,8-Dichloro-2-phenyl-imidazo[1,2-a]pyridin-3-yl)-acetic acid 在 N,N'-羰基二咪唑 作用下， 以 四氢呋喃 为溶剂， 生成 N-Butyl-2-(6,8-dichloro-2-phenyl-imidazo[1,2-a]pyridin-3-yl)-N-methyl-acetamide
  参考文献：
  名称：

  Structure−Activity Relationships and Effects on Neuroactive Steroid Synthesis in a Series of 2-Phenylimidazo[1,2-a]pyridineacetamide Peripheral Benzodiazepine Receptors Ligands

  摘要：

  A series of 36 imidazopyridineacetamides (2-37) were designed and synthesized to evaluate the effects of structural changes on the amide nitrogen at both central (CBRs) and peripheral benzodiazepine receptors (PBRs). These changes include variations in the length and number of the alkyl groups as well as introduction of different aromatic, heteroaromatic, and conformationally constrained groups. The affinities of these compounds for CBRs and PBRs were determined, and the results indicate that bulkiness of the substituents, their branching, and length beyond an optimal value may cause hindrance to the ligand in its interaction with the receptor. The presence of aromatic or conformationally constrained substituents on the carboxamide nitrogen can be conducive to high affinity and selectivity. Furthermore, the ability of a subset of the most active ligands to stimulate synthesis of neuroactive steroids in plasma and brain was evaluated in vivo and in vitro. Compound 3 exhibited very marked effects on the peripheral and central synthesis of neuroactive steroids, while 36 (potent at subnanomolar level) showed a slight ability to affect neuroactive steroid content in the cerebral cortex.

  DOI：

  10.1021/jm049610q
• 作为产物：
  描述：

  甲基丁胺 在 盐酸 作用下， 以 乙醚 、 水 为溶剂， 反应 0.33h， 以95%的产率得到N-甲基-1-丁胺
  参考文献：
  名称：

  线性和星形超分子聚合物由主客体驱动的自组装。

  摘要：

  DOI：

  10.1002/anie.200801002
• 作为试剂：
  描述：

  在 N-甲基-1-丁胺 作用下， 以 二甲基亚砜 为溶剂， 生成 甲基丁胺 、 1-(N-methylbutylamino)-2,4-dinitronaphthalene
  参考文献：
  名称：

  Reactions of secondary amines with their N-(2,4-dinitro-1-naphthyl) derivatives to form Jackson-Meisenheimer adducts. Substantial difference in reaction rates between pyrrolidine and piperidine

  摘要：

  DOI：

  10.1021/ja00406a033

文献信息

• [EN] TRIAMINOCYCLOPROPENIUM SALTS<br/>[FR] SELS DE TRIAMINOCYCLOPROPÉNIUM
  申请人：CURNOW OWEN JOHN

  公开号：WO2012169909A1

  公开（公告）日：2012-12-13

  Disclosed are salts comprising triaminocyclopropenium cations and various anions, and ionic liquids comprising the salts. Also disclosed are intermediates and methods of preparing the salts. The ionic liquids are useful as, for example, solvents and electrolytes, and for gas storage.

  揭示了包含三氨基环丙烯阳离子和各种阴离子的盐，以及包含这些盐的离子液体。还揭示了制备这些盐的中间体和方法。这些离子液体可用作溶剂和电解质，例如用于气体储存。
• Arylaminopropanone Derivatives as Potential Cholinesterase Inhibitors: Synthesis, Docking Study and Biological Evaluation
  作者：Anna Hudcová、Aleš Kroutil、Renata Kubínová、Adriana D. Garro、Lucas J. Gutierrez、Daniel Enriz、Michal Oravec、Jozef Csöllei

  DOI：10.3390/molecules25071751

  日期：——

  acetylcholine is observed are growing worldwide. In the present study, a series of new arylaminopropanone derivatives with N-phenylcarbamate moiety (1–16) were prepared as potential acetylcholinesterase and butyrylcholinesterase inhibitors. In vitro enzyme assays were performed; the results are expressed as a percentage of inhibition and the IC50 values. The inhibitory activities were compared with

  观察到乙酰胆碱减少的神经退行性疾病正在世界范围内增加。在本研究中，制备了一系列具有 N-苯基氨基甲酸酯部分 (1-16) 的新型芳基氨基丙酮衍生物作为潜在的乙酰胆碱酯酶和丁酰胆碱酯酶抑制剂。进行了体外酶分析；结果表示为抑制百分比和 IC50 值。将抑制活性与参考药物加兰他敏和卡巴拉汀进行比较，显示哌啶衍生物 (1-3) 是最有效的。通过使用对接、分子动力学模拟和量子力学计算的组合技术，从分子建模研究中确定了这些化合物的可能作用机制。
• [EN] CANNABINOID RECEPTOR LIGANDS<br/>[FR] LIGANDS DES RECEPTEURS DE CANNABINOIDES
  申请人：SCHERING CORP

  公开号：WO2004048322A1

  公开（公告）日：2004-06-10

  A compound of the formula (I) or a pharmaceutically acceptable salt or solvate thereof, wherein:R1, R2, L1, L2, M1, M2, n, p, q, A, D, X, Y and Z are as described in the specification; pharmaceutical compositions thereof, methods of making said pharmaceutical compositions; and methods of use thereof.

  式（I）的化合物或其药用可接受的盐或溶剂，其中：R1、R2、L1、L2、M1、M2、n、p、q、A、D、X、Y和Z如说明书中所述；其药用组合物，制备所述药用组合物的方法；以及使用方法。
• [EN] CANNABINOID RECEPTOR AGONISTS<br/>[FR] AGONISTES DU RECEPTEUR CANNABINOIDE
  申请人：SCHERING CORP

  公开号：WO2004000807A1

  公开（公告）日：2003-12-31

  A compound of the formula (I) or a pharmaceutically acceptable salt thereof, wherein: R1, R2, R3, R4, R5, R6, L1, L2, M, n, p, X, Y and Z are as described in the specification; pharmaceutical compositions thereof, methods of making said pharmaceutical compositions; and methods of use thereof.

  式(I)的化合物或其药学上可接受的盐，其中：R1、R2、R3、R4、R5、R6、L1、L2、M、n、p、X、Y和Z如说明书中所述；其药物组合物，制备该药物组合物的方法；以及使用该药物的方法。
• The Preparation of a Water‐Soluble Phospholate‐Based Macrocycle for Constructing Artificial Light‐Harvesting Systems
  作者：Jianmin Jiao、Guangping Sun、Jikun Zhang、Chen Lin、Juli Jiang、Leyong Wang

  DOI：10.1002/chem.202102758

  日期：2021.12

  tetraphenylethylene guest molecules (G) self-assembled with WPCTX to form WPCTX⊃G nanoparticles (NPs) acting as donors in water. Moreover, two hydrophobic fluorescent dyes, Eosin Y (ESY) and Nile red (NiR), were encapsulated in NPs to construct artificial light-harvesting systems with high antenna effect.

  以令人满意的收率制备了一种新型水溶性磷酸酯基大环化合物（WPCTX），并对其主客体性质进行了研究。基于此，四苯基乙烯客体分子 ( G ) 与WPCTX自组装形成WPCTX⊃G纳米粒子 (NPs)，作为水中的供体。此外，两种疏水性荧光染料伊红 Y ( ESY ) 和尼罗红 ( NiR ) 被封装在纳米粒子中，以构建具有高天线效应的人工光收集系统。