2-(2-氯氯苯基)-n-甲基乙胺 | 52516-17-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-(2-氯氯苯基)-n-甲基乙胺
• 中文别名: 2-氯-N-甲基苯乙胺
• 英文名称: 2-(2-chlorophenyl)-N-methylethan-1-amine
• 英文别名: N-[2-(2-Chlorophenyl)ethyl]-N-methylamine；2-(2-chlorophenyl)-N-methylethanamine
• CAS: 52516-17-3
• 化学式: C₉H₁₂ClN
• 分子量: 169.654
• InChiKey: DTJKAALGEAHUIV-UHFFFAOYSA-N

物化性质

• 沸点：
  49-52 °C(Press: 0.02 Torr)
• 密度：
  1.063±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2921499090

反应信息

• 作为反应物：
  描述：

  2-(2-氯氯苯基)-n-甲基乙胺 在 ammonium sulfate 、 lithium diisopropyl amide 作用下， 以 正戊烷 为溶剂， 反应 24.0h， 生成 1-甲基吲哚啉
  参考文献：
  名称：

  Formamidines in synthesis. An efficient one-pot synthesis of 7-substituted indolines via intramolecular cyclization of (2-phenethyl)formamidines. An asymmetric route to benzopyrrocoline alkaloids

  摘要：

  o-Chloro-beta-phenethylamines, transformed into the N-tert-butylformamidines, were found to be excellent precursors to indolines following benzyne formation. A series of methoxy-substituted o-chlorophenethylamines containing an N-alkyl or aryl substitutent were subjected to sec-butyllithium producing the ortho-lithiated aromatic which subsequently lost lithium chloride at temperatures ranging from -78 to -50-degrees-C. The resulting benzyne was intramolecularly trapped providing the titled heterocycles. Quenching the reaction resulted in elimination of the tert-butyl isocyanide (isolated after aqueous workup as tert-butylformamide) and protonation (or alkylation) of the 7-lithio position. Overall the yields for this process were 60-95% for a variety of N-substituted phenethylamines. In addition, a one-pot total asymmetric route to benzopyrrocoline alkaloids was featured using this benzyne trapping of chiral formamidines.

  DOI：

  10.1021/jo00039a029
• 作为产物：
  描述：

  邻氯氯苄 在 lithium aluminium tetrahydride 、 三氯化铝 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-(2-氯氯苯基)-n-甲基乙胺
  参考文献：
  名称：

  通过芳烃CC环化的苯并杂环：初始方法

  摘要：

  DOI：

  10.1016/s0040-4020(77)80020-3

文献信息

• [EN] PEPTIDOMIMETIC N5-METHYL-N2-(NONANOYL-L-LEUCYL)-L-GLUTAMINATE DERIVATIVES, TRIAZASPIRO[4.14]NONADECANE DERIVATIVES AND SIMILAR COMPOUNDS AS INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION<br/>[FR] DÉRIVÉS DE N5-MÉTHYL-N2-(NONANOYL-L-LEUCYL)-L-GLUTAMINATE PEPTIDOMIMÉTIQUES, DÉRIVÉS DE TRIAZASPIRO[4.14]NONADÉCANE ET COMPOSÉS SIMILAIRES UTILISÉS EN TANT QU'INHIBITEURS DE RÉPLICATION DE NOROVIRUS ET DE CORONAVIRUS
  申请人：COCRYSTAL PHARMA INC

  公开号：WO2021188620A1

  公开（公告）日：2021-09-23

  Peptidomimetic N5-methyl-N2-(nonanoyl-L-leucyl)-L-glutaminate derivatives, triazaspiro[4.14]nonadecane derivatives and similar compounds for use in methods of inhibiting the replication of noroviruses and coronaviruses in a biological sample or patient, for use in reducing the amount of noroviruses or coronaviruses in a biological sample or patient, and for use in treating norovirus and coronavirus in a patient, comprising administering to said biological sample or patient a safe and effective amount of a compound represented by formulae I or II, or a pharmaceutically acceptable salt thereof. The present description discloses the synthesis and characterisation of exemplary compounds as well as pharmacological data thereof (e.g. page 99 to page 271; examples 1 to 3; compounds A1 to A104 and Bl to B66; tables A to E).

  肽拟态N5-甲基-N2-(壬酰基-L-亮氨酰基)-L-谷氨酸衍生物，三唑螺[4.14]十九烷衍生物以及类似化合物用于抑制生物样本或患者中诺如病毒和冠状病毒的复制，用于减少生物样本或患者中诺如病毒或冠状病毒的数量，以及用于治疗患者中的诺如病毒和冠状病毒，包括向所述生物样本或患者施用由公式I或II表示的化合物的安全有效量，或其药用可接受盐。本描述公开了典型化合物的合成和特性，以及其药理数据（例如，第99页至第271页；例1至例3；化合物A1至A104和B1至B66；表A至表E）。
• A New Class of Easily Activated Palladium Precatalysts for Facile C−N Cross-Coupling Reactions and the Low Temperature Oxidative Addition of Aryl Chlorides
  作者：Mark R. Biscoe、Brett P. Fors、Stephen L. Buchwald

  DOI：10.1021/ja801137k

  日期：2008.5.1

  one-component Pd precatalysts bearing biarylphosphine ligands is described. These precatalysts are air- and thermally stable, are easily activated under normal reaction conditions at or below room temperature, and ensure the formation of the highly active monoligated Pd(0) complex necessary for oxidative addition. The use of these precatalysts as a convenient source of LPd(0) in C-N cross-coupling reactions

  描述了一类新的带有联芳基膦配体的单组分 Pd 预催化剂。这些预催化剂对空气和热稳定，在室温或低于室温的正常反应条件下很容易活化，并确保形成氧化加成所需的高活性单连接 Pd(0) 络合物。探索了在 CN 交叉偶联反应中使用这些预催化剂作为 LPd(0) 的方便来源。本研究中展示的反应性在钯化学中是前所未有的。
• NOVEL SUBSTITUTED ISOQUINOLINE DERIVATIVE
  申请人：Hidaka Hiroyoshi

  公开号：US20130274269A1

  公开（公告）日：2013-10-17

  The present invention provides a novel isoquinoline-6-sulfonamide derivative that is useful as a medicine. The present invention provides an isoquinoline-6-sulfonamide derivative represented by Formula (1), a salt thereof, or a solvate of the derivative or the salt, wherein R 1 and R 2 each independently represent a hydrogen atom, or the like; R 3 and R 4 each independently represent a hydrogen atom, an alkyl group, or the like; R 5 represents a hydrogen atom, an optionally substituted alkyl group, an optionally substituted alkenyl group, an optionally substituted alkynyl group, an optionally substituted cycloalkyl group, an optionally substituted alkanoyl group, or the like; and A represents a linear or branched alkylene group having 2 to 6 carbon atoms.

  本发明提供了一种新型的异喹啉-6-磺酰胺衍生物，该衍生物可用作药物。本发明提供了一种由公式（1）表示的异喹啉-6-磺酰胺衍生物，其盐，或衍生物或盐的溶剂化物，其中R1和R2各自独立地代表氢原子或类似物；R3和R4各自独立地代表氢原子、烷基或类似物；R5代表氢原子、可选地取代的烷基、可选地取代的烯基、可选地取代的炔基、可选地取代的环烷基、可选地取代的烷酰基或类似物；A代表具有2至6个碳原子的直链或支链亚烷基。
• [EN] COMPOUNDS<br/>[FR] COMPOSÉS
  申请人：MEDICAL RES COUNCIL TECHNOLOGY

  公开号：WO2010106333A1

  公开（公告）日：2010-09-23

  A compound of formula (I), or a pharmaceutically acceptable salt or ester thereof, wherein R1 is selected from: aryl; heteroaryl; -NHR3; fused aryl-C4-7-heterocycloalkyI; -CONR4R5; -NHCOR6; -C3-7-cycloalkyl; -O-C3-7-cycloalkyl; -NR3R6; and optionally substituted -C1-6 alkyl; wherein said aryl, heteroaryl, fused aryl-C4-7-heterocycloalkyl and C4-7-heterocycloalkyl are each optionally substituted; R2 is selected from hydrogen, aryl, C1-6-alkyl, C2-6-alkenyl, C3-7-cycloalkyl, heteroaryl, C4-7 heterocycloalkyl and halogen, wherein said C1-6-alkyl, C2-6-alkenyl, aryl, heteroaryl and C4-7-heterocycloalkyl are each optionally substituted. Further aspects relate to pharmaceutical compositions, therapeutic uses and process for preparing compounds of formula (I).

  一种具有式（I）的化合物，或其药学上可接受的盐或酯，其中R1选自：芳基；杂环芳基；-NHR3；融合芳基-C4-7-杂环烷基；-CONR4R5；-NHCOR6；-C3-7-环烷基；-O-C3-7-环烷基；-NR3R6；和可选择地取代的-C1-6烷基；其中所述的芳基、杂环芳基、融合芳基-C4-7-杂环烷基和C4-7-杂环烷基均可选择地取代；R2选自氢、芳基、C1-6-烷基、C2-6-烯基、C3-7-环烷基、杂环芳基、C4-7-杂环烷基和卤素，其中所述的C1-6-烷基、C2-6-烯基、芳基、杂环芳基和C4-7-杂环烷基均可选择地取代。进一步涉及制备具有式（I）的化合物的药物组合物、治疗用途和制备方法的其他方面。
• INHIBITORS OF N-ACYLPHOSPHATIDYLETHANOLAMINE PHOSPHOLIPASE D (NAPE-PLD)
  申请人：Universiteit Leiden

  公开号：EP3575287A1

  公开（公告）日：2019-12-04

  The invention relates to a compound of the formula (I) as novel inhibitor of N-acylphosphatidylethanolamine phospholipase D (NAPE-PLD), and to use thereof for the prophylaxis or treatment of diseases associated with NAPE-PLD. wherein in a ring A, X1 is N, or CR4; X2 is N or CR5; X3 is N or CH; with the proviso that at least one of X1 and X3 is N.

  该发明涉及一种化合物，其化学式为(I)，作为N-酰基磷脂酰乙醇胺磷脂酶D（NAPE-PLD）的新型抑制剂，并且用于预防或治疗与NAPE-PLD相关的疾病，其中在环A中，X1为N或CR4；X2为N或CR5；X3为N或CH；但X1和X3中至少有一个为N。