N-(Hydroxymethyl)benzylamine | 21249-12-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-(Hydroxymethyl)benzylamine
• 英文别名: N-benzyl methanolamine；N-benzylaminomethanol；Benzylamino-methanol；(Benzylamino)methanol
• CAS: 21249-12-7
• 化学式: C₈H₁₁NO
• 分子量: 137.181
• InChiKey: HOXDYOFMLGYVGR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  32.3
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-(Hydroxymethyl)benzylamine 、 硫代乙酸 以 二氯甲烷 为溶剂， 反应 3.0h， 生成 N-苄基乙酰胺
  参考文献：
  名称：

  氨基甲基硫代酸酯在天然化学连接型酰胺键形成反应中是否可行？

  摘要：

  N-巯基甲基胺和硫酯的缩合是通过氨基甲基硫酯中间体在天然化学连接类型方法中随后自裂解“巯基甲基”助剂的酰胺的潜在途径。本文介绍了对氨基甲基硫代酯的制备以及随后由甲醛，硫代酸和胺的三组分偶合转化为酰胺的研究。我们的研究表明，尽管此类中间体可能在酰胺生成过程中形成，但与胺和硫代酸前体的直接反应相比，没有优势。

  DOI：

  10.1071/ch18198
• 作为产物：
  描述：

  2,4,6,8-Tetrabenzyl-2,4,6,8-tetraazabicyclo<3.3.0>octane 在 溶剂黄146 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 以0.14 g的产率得到N-(Hydroxymethyl)benzylamine
  参考文献：
  名称：

  Polyazapolycyclics by condensation of aldehydes with amines. 3. Formation of 2,4,6,8-tetrabenzyl-2,4,6,8-tetraazabicyclo[3.3.0]octanes from formaldehyde, glyoxal, and benzylamines

  摘要：

  The condensation of formaldehyde, glyoxal, and benzylamine, in a stoichiometric ratio, leads to 2,4,6,8-tetrabenzyl-2,4,6,8-tetraazabicyclo[3.3.0]octane (1d) in methanol solvent with formic acid catalyst. Six phenyl-substituted derivatives of Id, as well as 2,4,6,8-tetraisopropyl-2,4,6,8-tetraazabicyclo[3.3.0]octane (1c), have been prepared in high yields by this synthetic method. Some of the chemical behavior of the new compounds is discussed.

  DOI：

  10.1021/jo00051a016

文献信息

• CAJANINE STRUCTURE ANALOGOUS COMPOUND, PREPARATION METHOD AND USE
  申请人：INSTITUTE OF MEDICINAL BIOTECHNOLOGY. CHINESE ACADEMY OF MEDICAL SCIENCES

  公开号：US20140371232A1

  公开（公告）日：2014-12-18

  Provided are cajanine structure analogous compounds, synthesis method and pharmacological effects thereof, the compounds of the present invention having the structure as represented by general formulas I, II, III, IV and V. Also provided are pharmaceutical compositions containing the compounds as active ingredient, and uses thereof; the compounds of the present invention having the pharmacological activities such as anti-virus, anti-virus-infection, nerve protection, anti-metabolic-diseases and the like. Also provided is a chemical total synthesis preparation method of the natural products cajanine, cajanine A and cajanine C. The present invention lays a foundation for the in-depth study and development of the compounds as clinical drugs in the future.

  提供的是与咖啡碱结构类似的化合物、合成方法及其药理效果，本发明的化合物具有如公式I、II、III、IV和V所代表的结构。还提供了含有这些化合物的药物组合物，以及它们的使用方法；本发明的化合物具有诸如抗病毒、抗病毒感染、神经保护、抗代谢性疾病等药理活性。还提供了天然产物咖啡碱、咖啡碱A和咖啡碱C的化学全合成制备方法。本发明为这些化合物作为未来临床药物深入研究和发展奠定了基础。
• Ramoplanin derivatives possessing antibacterial activity
  申请人：Raju G. Bore

  公开号：US20060211603A1

  公开（公告）日：2006-09-21

  Novel ramoplanin derivatives are disclosed. These ramoplanin derivatives exhibit antibacterial activity. As the compounds of the subject invention exhibit potent activities against gram positive bacteria, they are useful antimicrobial agents. Methods of synthesis and of use of the compounds are also disclosed.

  新型拉莫普兰衍生物已被披露。这些拉莫普兰衍生物表现出抗菌活性。由于本发明的化合物对革兰氏阳性细菌表现出强效活性，它们是有用的抗微生物药剂。该化合物的合成方法和使用方法也已被披露。
• CELLULOSE ACYLATE FILM, NOVEL COMPOUND, POLARIZING PLATE AND LIQUID CRYSTAL DISPLAY DEVICE
  申请人：FUJIFILM Corporation

  公开号：US20150361036A1

  公开（公告）日：2015-12-17

  A cellulose acylate film, which includes a compound denoted by general formula (I) below, the equivalent U of which, calculated as a value obtained by dividing the molecular weight of the compound by the number of divalent linking groups denoted by —O—C(═O)—NH— contained per molecule, is less than or equal to 515, wherein, in general formula (I), each of L 11 and L 21 independently denotes an optionally substituted alkylene group; each of L 12 and L 22 independently denotes a single bond, any one of or any combination of —O—, —NR 1 —, —S— and —C(═O)—; R 1 denotes a hydrogen atom or a substituent; each of n1 and n2 independently denotes an integer of 0 to 20, with at least either n1 or n2 being an integer of greater than or equal to 1. Q 1 -(L 12 -L 11 ) n1 -O—C(═O)—NH-(L 21 -L 22 ) n2 -Q 2 General formula (I)

  一种纤维素酰酸酯薄膜，包括下面的通用公式（I）表示的化合物，其当以将该化合物的分子量除以每分子中含有的二价连接基团—O—C(═O)—NH—的数量得到的值计算时等效U小于或等于515，其中，在通用公式（I）中，L11和L21中的每一个独立表示一个可选择取代的烷基基团；L12和L22中的每一个独立表示一个单键，任意一个或任意组合的—O—、—NR1—、—S—和—C(═O)—；R1表示氢原子或取代基；n1和n2中的每一个独立表示0到20的整数，其中n1或n2中至少有一个整数大于或等于1。Q1-(L12-L11)n1-O—C(═O)—NH-(L21-L22)n2-Q2通用公式（I）
• [EN] HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS<br/>[FR] DÉRIVÉS D'AMIDE HÉTÉROCYCLIQUE COMME ANTAGONISTES DU RÉCEPTEUR P2X7
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2013108227A1

  公开（公告）日：2013-07-25

  The invention relates to heterocyclic amide derivatives of formula (I), wherein R1, R2, R3, X and n are as defined in the description, their preparation and their use as pharmaceutically active compounds.

  该发明涉及式（I）的杂环酰胺衍生物，其中R1、R2、R3、X和n如描述中所定义，其制备以及它们作为药用活性化合物的用途。
• HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：US20150025075A1

  公开（公告）日：2015-01-22

  The invention relates to heterocyclic amide derivatives of formula (I), wherein R 1 , R 2 , R 3 , X and n are as defined in the description, their preparation and their use as pharmaceutically active compounds.

  本发明涉及公式（I）的杂环酰胺衍生物，其中R1、R2、R3、X和n如描述中所定义，它们的制备和它们作为药物活性化合物的用途。