4-[双(4-氯苯基)甲基]吗啉 | 252644-74-9

• 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: 4-[双(4-氯苯基)甲基]吗啉
• 英文名称: 4-[bis(4-chlorophenyl)methyl]morpholine
• 英文别名: N-(4,4'-dichlorobenzhydryl)morpholine
• CAS: 252644-74-9
• 化学式: C₁₇H₁₇Cl₂NO
• 分子量: 322.234
• InChiKey: YFYFFDJSWMNXPF-UHFFFAOYSA-N

物化性质

• 沸点：
  411.9±40.0 °C(Predicted)
• 密度：
  1.265±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  12.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-thioformylmorpholine 、 4-氯苯基溴化镁 以 乙醚 、 1,2-二氯乙烷 为溶剂， 反应 1.0h， 以75%的产率得到4-[双(4-氯苯基)甲基]吗啉
  参考文献：
  名称：

  两分子格氏试剂与硫代甲酰胺的顺序加成反应

  摘要：

  发现两个分子的格氏试剂与硫代甲酰胺的顺序加成反应可以有效地产生叔胺。可以通过在第一步中使用一当量的芳基镁试剂来完成两种不同的格氏试剂的添加。在第二步中，使用各种试剂（例如烷基，烯基，芳基和炔基试剂）以高收率或高收率得到相应的胺。

  DOI：

  10.1021/jo900915n

文献信息

• Can One Predict Changes from S_N1 to S_N2 Mechanisms?
  作者：Thanh Binh Phan、Christoph Nolte、Shinjiro Kobayashi、Armin R. Ofial、Herbert Mayr

  DOI：10.1021/ja903207b

  日期：2009.8.19

  lifetimes of benzhydrylium ions in the presence of amines and DMSO. The change from S(N)1 to S(N)2 mechanism occurred close to the point where the calculated rate constant for the collapse of the benzhydrylium ions with the amines just reaches the vibrational limit; that is, the concerted S(N)2 mechanism was only followed when it was enforced by the lifetime of the intermediate. The nucleophile-specific

  取代的二苯甲基溴化物 Ar(2)CHBr 与伯胺和仲胺在 DMSO 中的反应产生二苯甲基胺 Ar(2)CHNRR'、二苯甲酮 Ar(2)C=O 和二苯甲醇 Ar(2)CHOH。20 摄氏度的动力学研究揭示了速率定律 -d[Ar(2)CHBr]/dt = (k(1) + k(2)[HNRR'])[Ar(2)CHBr]，其中胺独立项k(1) 导致形成 Ar(2)C=O 和 Ar(2)CHOH，胺依赖项 k(2)[HNRR'] 负责形成 Ar(2)CHNRR'。获得了伴随 S(N)1 和 S(N)2 过程的明确证据。虽然 S(N)1 反应的速率常数与哈米特 sigma(+) 常数 (rho = -3.22) 相关，但 S(N)2 反应的二级速率常数 k(2) 与取代基的电子释放能力，表明 S(N)2 反应的过渡态不与 S(N)1 反应的过渡态合并。相关方程 log k(20°C) = s(E +
• [EN] PIPERIDINE AND PIPERAZINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS AND CANCER<br/>[FR] DÉRIVÉS PIPÉRIDINE ET PIPÉRAZINE ET LEUR UTILISATION POUR TRAITER LES INFECTIONS VIRALES ET LE CANCER
  申请人：US HEALTH

  公开号：WO2015080949A1

  公开（公告）日：2015-06-04

  Disclosed are compounds of formula (I) (formula I),as antiviral agents, antineoplastic agents, pharmaceutical compositions comprising such compounds, and a method of use of these compounds, wherein X and Y are independently CH or N, o is 0, 1 or 2, and E is absent or is (CR13 R14 )m, NH, or S, F is absent or is (CR15 R16 )n, C=O, or -SO2 -, G is absent or is (CR17 CR18 )r, H is absent or is C=O, or -SO2 - and R1, Ar1, Ar2 are as defined in the specification. These compounds are antiviral agents and are contemplated in the treatment of viral infections, for example, hepatitis C, or are antineoplastic agents.

  揭示了化合物的结构式（I）（式I），作为抗病毒剂、抗肿瘤剂，包括这些化合物的药物组合物，以及这些化合物的使用方法，其中X和Y分别为CH或N，o为0、1或2，E不存在或为（CR13 R14）m、NH或S，F不存在或为（CR15 R16）n、C=O或-SO2-，G不存在或为（CR17 CR18）r，H不存在或为C=O或-SO2-，R1、Ar1、Ar2如规范中所定义。这些化合物是抗病毒剂，可用于治疗病毒感染，例如丙型肝炎，或作为抗肿瘤剂。
• PIPERIDINE AND PIPERAZINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS AND CANCER
  申请人：THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN

  公开号：US20170001988A1

  公开（公告）日：2017-01-05

  Disclosed are compounds of formula (I) (formula I), as antiviral agents, antineoplastic agents, pharmaceutical compositions comprising such compounds, and a method of use of these compounds, wherein X and Y are independently CH or N, o is 0, 1 or 2, and E is absent or is (CR 13 R 14 )m, NH, or S, F is absent or is (CR 15 R 16 )n, C=O, or —SO 2 —, G is absent or is (CR 17 CR 18 )r, H is absent or is C═O, or —SO2- and R 1 , Ar 1 , Ar 2 are as defined in the specification. These compounds are antiviral agents and are contemplated in the treatment of viral infections, for example, hepatitis C, or are antineoplastic agents.
• Sequential Addition Reactions of Two Molecules of Grignard Reagents to Thioformamides
  作者：Toshiaki Murai、Kazuki Ui、Narengerile

  DOI：10.1021/jo900915n

  日期：2009.8.7

  Sequential addition reactions of two molecules of Grignard reagents to thioformamides were found to yield tertiary amines in an efficient manner. The addition of two different Grignard reagents can be accomplished by using one equivalent of arylmagnesium reagent in the first step. In the second step, a variety of reagents such as alkyl, alkenyl, aryl, and alkynyl reagents were used to afford the corresponding

  发现两个分子的格氏试剂与硫代甲酰胺的顺序加成反应可以有效地产生叔胺。可以通过在第一步中使用一当量的芳基镁试剂来完成两种不同的格氏试剂的添加。在第二步中，使用各种试剂（例如烷基，烯基，芳基和炔基试剂）以高收率或高收率得到相应的胺。