N,N-二甲基戊胺 | 26153-88-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: N,N-二甲基戊胺
• 英文名称: N,N-dimethyl-1-pentanamine
• 英文别名: 1-Dimethylamino-pentan；N,N-dimethyl pentylamine；N,N-dimethylpentan-1-amine；dimethylpentylamine
• CAS: 26153-88-8
• 化学式: C₇H₁₇N
• 分子量: 115.219
• InChiKey: IDFANOPDMXWIOP-UHFFFAOYSA-N

物化性质

• 沸点：
  122-123 °C
• 密度：
  0.755 g/cm3(Temp: 0 °C)
• 保留指数：
  761.3;795;795

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  8
• 可旋转键数：
  4
• 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

反应信息

• 作为反应物：
  描述：

  N,N-二甲基戊胺 在 盐酸 、 双氧水 作用下， 以 甲醇 为溶剂， 以30%的产率得到N,N-dimethylpentylamine N-oxide hydrochloride
  参考文献：
  名称：

  Structure-Property Relationships in the Basicity and Lipophilicity of Arylalkylamine Oxides

  摘要：

  Homologous N,N-dimethyl-phenylalkylamine oxides and N,N-dimethyl-diphenylalkylamine oxides were prepared. Their basicity and lipophilicity (octan-1-ol/H2O) were compared to those of the parent amines. In contrast to the amines, the basicity of all N,N-dimethyl-arylalkylamine oxides showed very limited pK(a) variations (range 4.65-5.01) with increasing chain length and number of Ph groups. The N-oxides in their neutral form had a log P-N value lower by 2.77 +/- 0.34 (n = 9) units than that of the parent amine. The log P-C of the cationic N,N-dimethyl-diphenylalkylamines was lower than that of their neutral form, with a decrement diff(log PN-C) that increased from 3.25 to 4.21 in the homologous series. Unexpectedly. the decrement diff(log PN-C) for the N-oxides was much smaller than for the tertiary amines, being 0.23 for the aliphatic N,N-dimethyl-pentylamine oxide, 0.47 +/- 0.13 for the phenylalkylamine oxides, and 0.80 +/- 0.07 for the diphenylalkylamine oxides. In fact, the protonated N-oxides had log P-C values that were quite comparable to those of the protonated parent amines. Because of the differences in basicity, the difference in distribution coefficients at physiological pH (log D-7.4) between a tertiary arylalkylamine and its N-oxide was 0.82 +/- 0.66 (n = 9). The pharmacokinetic implication is that N-oxygenation may have a smaller effect on the urinary excretion of tertiary amines than usually assumed.

  DOI：

  10.1002/(sici)1522-2675(19991006)82:10<1630::aid-hlca1630>3.0.co;2-p
• 作为产物：
  描述：

  N,N-dimethylpent-4-enylamine 在 氢气 、 铂 作用下， 生成 N,N-二甲基戊胺
  参考文献：
  名称：

  Willstaetter; Waser, Chemische Berichte, 1910, vol. 43, p. 1182

  摘要：

  DOI：

文献信息

• SUBSTITUTED 4-PYRIDONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY
  申请人：OOST Thorsten

  公开号：US20140057916A1

  公开（公告）日：2014-02-27

  This invention relates to substituted 4-pyridones of formula 1 and their use as inhibitors of neutrophil elastase activity, pharmaceutical compositions containing the same, and methods of using the same as agents for treatment and/or prevention of pulmonary, gastrointestinal and genitourinary diseases, inflammatory diseases of the skin and the eye and other auto-immune and allergic disorders, allograft rejection, and oncological diseases.

  这项发明涉及式1的取代4-吡啶酮及其作为中性粒细胞弹性蛋白酶活性抑制剂的用途，包含这些化合物的药物组合物，以及将其用作治疗和/或预防肺部、胃肠道和泌尿系统疾病、皮肤和眼睛的炎症性疾病以及其他自身免疫和过敏性疾病、移植物排斥反应和肿瘤性疾病的药剂的方法。
• [EN] 5-MEMBERED AND BICYCLIC HETEROCYCLIC AMIDES AS INHIBITORS OF ROCK<br/>[FR] AMIDES HÉTÉROCYCLIQUES À 5 CHAÎNONS ET BICYCLIQUES UTILISÉS EN TANT QU'INHIBITEURS DE ROCK
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2019014308A1

  公开（公告）日：2019-01-17

  The present invention provides compounds of Formula (I): or stereoisomers, tautomers, or pharmaceutically-acceptable salts thereof, wherein all the variables are as defined herein. These compounds are selective ROCK inhibitors. This invention also relates to pharmaceutical compositions comprising these compounds and methods of treating cardiovascular, smooth muscle, oncologic, neuropathologic, autoimmune, fibrotic, and/or inflammatory disorders using the same.

  本发明提供了化合物的结构式（I）：或其立体异构体、互变异构体或药学上可接受的盐，其中所有变量如本文所定义。这些化合物是选择性ROCK抑制剂。本发明还涉及包含这些化合物的药物组合物以及使用它们治疗心血管、平滑肌、肿瘤学、神经病理学、自身免疫、纤维化和/或炎症性疾病的方法。
• PROCESS FOR PREPARING FORMIC ACID
  申请人：Fachinetti Giuseppe

  公开号：US20130006015A1

  公开（公告）日：2013-01-03

  A process for preparing formic acid by hydrogenation of carbon dioxide in the presence of a tertiary amine (I) and a catalyst at a pressure of from 0.2 to 30 MPa abs and a temperature of from 20 to 200° C., wherein the catalyst is a heterogeneous catalyst comprising gold.

  在三级胺（I）和催化剂的存在下，通过在0.2到30兆帕绝对压力和20到200摄氏度的温度下，将二氧化碳加氢制备甲酸的方法，其中催化剂是包含金的非均相催化剂。
• Practical and Selective sp ³ C−H Bond Chlorination via Aminium Radicals
  作者：Alastair J. McMillan、Martyna Sieńkowska、Piero Di Lorenzo、Gemma K. Gransbury、Nicholas F. Chilton、Michela Salamone、Alessandro Ruffoni、Massimo Bietti、Daniele Leonori

  DOI：10.1002/anie.202100030

  日期：2021.3.22

  also the fine‐tuning of physicochemical and biological properties of drugs, agrochemicals and polymers. We report here a general and practical photochemical strategy enabling the site‐selective chlorination of sp3 C−H bonds. This process exploits the ability of protonated N‐chloroamines to serve as aminium radical precursors and also radical chlorinating agents. Upon photochemical initiation, an efficient

  将氯原子引入有机分子对于工业化学品的制造、先进合成中间体的精制以及药物、农用化学品和聚合物的物理化学和生物特性的微调至关重要。我们在这里报告了一种通用且实用的光化学策略，能够实现 sp 3 C−H 键的位点选择性氯化。该过程利用了质子化的N-氯胺作为铵自由基前体和自由基氯化剂的能力。在光化学引发后，建立了有效的自由基链传播，由于存在大量兼容的官能团，因此允许多种底物的官能化。通过适当选择铵基，能够协同最大化 H 原子转移过渡态中的极性和空间效应，为自由基 sp 3 C−H 氯化提供了已知的最高选择性。
• NOVEL COMPOUNDS
  申请人：GRAUERT Matthias

  公开号：US20130184248A1

  公开（公告）日：2013-07-18

  This invention relates to compounds of formula I their use as positive allosteric modulators of mGlu5 receptor activity, pharmaceutical compositions containing the same, and methods of using the same as agents for treatment and/or prevention of neurological and psychiatric disorders associated with glutamate dysfunction such as schizophrenia or cognitive decline such as dementia or cognitive impairment. A, B, Ar, R 1 , R 2 , R 3 have meanings given in the description.

  这项发明涉及到式I的化合物，它们作为mGlu5受体活性的正向变构调节剂的用途，含有这些化合物的药物组合物，以及将其用作治疗和/或预防与谷氨酸功能障碍相关的神经和精神疾病，如精神分裂症或认知功能下降，如痴呆症或认知障碍的药剂的方法。A、B、Ar、R1、R2、R3在描述中有给定的含义。

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