N,N-dimethyl-2-(4-fluoro-2-nitrophenyl)ethenylamine | 96631-90-2

• 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,N-dimethyl-2-(4-fluoro-2-nitrophenyl)ethenylamine
• 英文别名: 5-fluoro-trans-2-[β-(dimethylamino)vinyl]nitrobenzene；trans-4-fluoro-β-dimethylamino-2-nitrostyrene；4-fluoro-β-(N,N-dimethylamino)-2-nitrostyrene；(E)-4-Fluoro-2-nitro-β-dimethylaminostyrene；N,N-dimethyl-2-(4-fluoro-2-nitrophenyl)etheneamine；1-dimethylamino-2-(4-fluoro-2-nitro)phenylethene；Hsunobhqlaokkh-aatrikpksa-；(E)-2-(4-fluoro-2-nitrophenyl)-N,N-dimethylethenamine
• CAS: 96631-90-2
• 化学式: C₁₀H₁₁FN₂O₂
• 分子量: 210.208
• InChiKey: HSUNOBHQLAOKKH-AATRIKPKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  49.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N,N-dimethyl-2-(4-fluoro-2-nitrophenyl)ethenylamine 在 sodium hydroxide 、 镍 、 肼 、 三氯氧磷 作用下， 以 甲醇 为溶剂， 生成 6-氟吲哚-3-甲醛
  参考文献：
  名称：

  Novel tryptophan dioxygenase inhibitors and combined tryptophan dioxygenase/5-HT reuptake inhibitors

  摘要：

  Tryptophan dioxygenase (TDO) is a liver enzyme that is responsible for the majority of the metabolism of tryptophan. A series of novel 3-(2-pyridylethenyl)indoles are shown to be potent inhibitors of TDO with selected members of the series also having 5-hydroxy tryptamine (5-HT) reuptake inhibitory activity. These compounds are shown to provide significant increases in the levels of tryptophan and 5-HT in the cerebrospinal fluid and are thus of interest for antidepressant therapy. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00124-2
• 作为产物：
  描述：

  4-氟-2-硝基甲苯 在 N,N-二甲基甲酰胺二甲基缩醛 作用下， 以 N-甲基乙酰胺 为溶剂， 生成 N,N-dimethyl-2-(4-fluoro-2-nitrophenyl)ethenylamine
  参考文献：
  名称：

  1H-2,1,3-benzothiadiazine-2,2-dioxide compounds or derivatives thereof

  摘要：

  一种具有以下结构式的药物化合物：##STR1## 其中n为1或2，m为1或2，p为1至6，q为0或1至3，R.sup.1和R.sup.2分别为氢或C.sub.1-4烷基，R.sup.3、R.sup.4和R.sup.5分别为氢、C.sub.1-4烷基、可选择取代的苯基或可选择取代的苯基-C.sub.1-4烷基，或者R.sup.3和R.sup.4一起形成一个结构式为--(CH.sub.2).sub.3--或--(CH.sub.2).sub.4--的烷基链，或者R.sup.4和R.sup.5与它们连接的碳原子一起形成一个C.sub.3-6环烷基基团，R.sup.6为C.sub.1-4烷基、C.sub.1-4烷氧基、羧基、羟基、氰基、卤素、三氟甲基、硝基或氨基，虚线代表可选的双键，氟原子连接在第6或第7位；以及其盐和酯。

  公开号：

  US05929072A1

文献信息

• Piperidyindoles as serotonin receptor ligands
  申请人：——

  公开号：US20030225068A1

  公开（公告）日：2003-12-04

  A pharmaceutical compound of the formula (I) in which R 1 and R 2 are each hydrogen or C 1-6 alkyl, R 3 is —SR 10 , —SOR 10 , —SO 2 R 10 , —COR 10 , —CH 2 OH or —CONHR 11 , where R 10 is C 1-6 alkyl and R 11 is hydrogen or C 1-6 alkyl, R 4 , R 5 , R 6 and R 7 are each hydrogen or C 1-6 alkyl, provided that at least one of R 4 , R 5 , R 6 and R 7 is C 1-6 alkyl, R 8 and R 9 are each hydrogen, halo, C 1-6 alkyl or cyano, n is 0 or 1 and m is 2 or 3, x is a (a) or (b), and y is (c) or (d), wherein R 12 and R 13 are each hydrogen, C 1- alkyl, cyclopropyl or cyclopropyl-C 1-6 alkyl; and salts thereof. 1

  化学式（I）中的一种药物化合物，其中R1和R2分别为氢或C1-6烷基，R3为—SR10，—SOR10，—SO2R10，—COR10，—CH2OH或—CONHR11，其中R10为C1-6烷基，R11为氢或C1-6烷基，R4、R5、R6和R7分别为氢或C1-6烷基，但至少其中之一为C1-6烷基，R8和R9分别为氢、卤素、C1-6烷基或氰基，n为0或1，m为2或3，x为（a）或（b），y为（c）或（d），其中R12和R13分别为氢、C1-烷基、环丙基或环丙基-C1-6烷基；及其盐。
• Microwave assisted Leimgruber–Batcho reaction for the preparation of indoles, azaindoles and pyrroylquinolines
  作者：Jason Siu、Ian R. Baxendale、Steven V. Ley

  DOI：10.1039/b313012f

  日期：——

  catalysed Leimgruber-Batcho indole synthesis using microwave acceleration is described. This approach has permitted the preparation of a variety of heteroaromatic enamine intermediates in good yield and high purities. Subsequent catalytic hydrogenation reactions, under various conditions including the use of a solid-phase encapsulated catalyst, furnish the corresponding indole derivatives in good yields

  描述了开发利用微波加速的路易斯酸催化的Leimgruber-Batcho吲哚合成的增强条件。该方法允许以高收率和高纯度制备各种杂芳族烯胺中间体。随后的催化氢化反应，在各种条件下，包括使用固相包封的催化剂，以良好的收率提供了相应的吲哚衍生物。
• 1H-2,1,3-benzothiadiazine-2,2-dioxide compounds or derivatives thereof
  申请人：Eli Lilly and Company Limited

  公开号：US05929072A1

  公开（公告）日：1999-07-27

  A pharmaceutical compound having the formula: ##STR1## in which n is 1 or 2, m is 1 or 2, p is 1 to 6, q is 0 or 1 to 3, R.sup.1 and R.sup.2 are each hydrogen or C.sub.1-4 alkyl, R.sup.3, R.sup.4 and R.sup.5 are each hydrogen, C.sub.1-4 alkyl, optionally substituted phenyl or optionally substituted phenyl-C.sub.1-4 alkyl, or R.sup.3 and R.sup.4 together form an alkylene link of formula --(CH.sub.2).sub.3 -- or --(CH.sub.2).sub.4 --, or R.sup.4 and R.sup.5 together with the carbon atom to which they are attached form a C.sub.3-6 cycloalkyl group, R.sup.6 is C.sub.1-4 alkyl, C.sub.1-4 alkoxy, carboxy, hydroxy, cyano, halo, trifluoromethyl, nitro or amino, the dotted line represents an optional double bond, and the fluorine atom is attached at the 6 or 7-position; and salts and esters thereof.

  一种具有以下结构式的药物化合物：##STR1## 其中n为1或2，m为1或2，p为1至6，q为0或1至3，R.sup.1和R.sup.2分别为氢或C.sub.1-4烷基，R.sup.3、R.sup.4和R.sup.5分别为氢、C.sub.1-4烷基、可选择取代的苯基或可选择取代的苯基-C.sub.1-4烷基，或者R.sup.3和R.sup.4一起形成一个结构式为--(CH.sub.2).sub.3--或--(CH.sub.2).sub.4--的烷基链，或者R.sup.4和R.sup.5与它们连接的碳原子一起形成一个C.sub.3-6环烷基基团，R.sup.6为C.sub.1-4烷基、C.sub.1-4烷氧基、羧基、羟基、氰基、卤素、三氟甲基、硝基或氨基，虚线代表可选的双键，氟原子连接在第6或第7位；以及其盐和酯。
• Benzothiadiazinyl-indole derivatives and their use as serotonin receptor ligands
  申请人：ELI LILLY AND COMPANY LIMITED

  公开号：EP0897921A1

  公开（公告）日：1999-02-24

  Compounds having the formula: in which n is 1 or 2, m is 1 or 2, p is 1 to 6, q is 0 or 1 to 3, R1 and R2 are each hydrogen or C1-4 alkyl, R3, R4 and R5 are each hydrogen, C1-4 alkyl, optionally substituted phenyl or optionally substituted phenyl-C1-4 alkyl, or R3 and R4 together form an alkylene link of formula -(CH2)3- or -(CH2)4-, or R4 and R5 together with the carbon atom to which they are attached form a C3-6 cycloalkyl group, R6 is C1-4 alkyl, C1-4 alkoxy, carboxy, hydroxy, cyano, halo, trifluoromethyl, nitro or amino, the dotted line represents an optional double bond, and the fluorine atom is attached at the 6 or 7-position; and salts and esters thereof, are binding to the 5-HT serotonin receptor and are useful in the treatment of CNS disorders.

  具有以下化学式的化合物： 其中n为1或2，m为1或2， p为1至6，q为0或1至3， R1和R2分别为氢或C1-4烷基， R3、R4和R5分别为氢、C1-4烷基、可选择取代的苯基或可选择取代的苯基-C1-4烷基，或者R3和R4一起形成化学式-(CH2)3-或-(CH2)4-的烷基链，或者R4和R5与它们连接的碳原子一起形成C3-6环烷基团， R6为C1-4烷基、C1-4烷氧基、羧基、羟基、氰基、卤素、三氟甲基、硝基或氨基， 虚线表示可选的双键，和 氟原子连接在6位或7位； 以及它们的盐和酯，与5-HT血清素受体结合，并在中枢神经系统疾病的治疗中有用。
• [EN] CYTOTOXIC AMINO SUGAR AND RELATED SUGAR DERIVATIVES OF INDOLOPYRROLOCARBAZOLES<br/>[FR] AMINOSUCRE CYTOTOXIQUE ET DERIVES DE SUCRE ASSOCIES D'INDOLOPYRROLOCARBAZOLES
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：WO1998007433A1

  公开（公告）日：1998-02-26

  (EN) The present invention concerns novel amino sugar and related sugar derivatives of indolopyrrolocarbazoles, their use as antitumor agents, and pharmaceutical formulations.(FR) Cette invention concerne un nouvel aminosucre et des nouveaux dérivés de sucre associés d'indolopyrrolocarbazoles, leur utilisation en tant qu'agents antitumeur et des formulations pharmaceutiques.

  (EN) 本发明涉及新型的indolopyrrolocarbazoles的氨基糖和相关糖衍生物，其作为抗肿瘤剂的用途和制药配方。 (FR) 本发明涉及新型的indolopyrrolocarbazoles的氨基糖和相关糖衍生物，其作为抗肿瘤剂的用途和制药配方。

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