N,2,3-三甲基苯甲酰胺 | 223553-34-2

• 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: N,2,3-三甲基苯甲酰胺
• 英文名称: 2,3-dimethyl-N-methylbenzamide
• 英文别名: 2,3,N-trimethylbenzamide；2,3,N-trimethyl benzamide；N,2,3-trimethylbenzamide
• CAS: 223553-34-2
• 化学式: C₁₀H₁₃NO
• mdl: MFCD11726157
• 分子量: 163.219
• InChiKey: ZSQRWYLBOHBUFO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  N,2,3-三甲基苯甲酰胺 在 正丁基锂 作用下， 以 四氢呋喃 为溶剂， 反应 49.0h， 生成 3-(4-chlorophenyl)-3-(2-dimethylaminoethyl)-5-methyl-isochroman-1-one hydrochloride
  参考文献：
  名称：

  Isochromanone-based urotensin-II receptor agonists

  摘要：

  A series of analogues of the selective non-peptide urotensin II (UII) receptor agonist 3-(4-chlorophenyl)-3-(2-dimethylaminoethyl)-isochroman- 1-one (AC-7954, 1) was synthesized and evaluated for UII agonist activity using a functional cell-based assay. The introduction of a methyl group in the 4-position resulted in a complete loss of activity, whereas substituents in the aromatic rings were beneficial. Sterically demanding amino groups were also detrimental to the activity. Several potent agonists were identified, six compounds being equally or more potent than 1. The most potent compound in the series was the 6,7-dimethyl analogue of 1 (16, pEC(50) 6.87). The racemate of 16 was resolved into the pure enantiomers using preparative straight phase HPLC. It was shown that the potency resides in the (+)-enantiomer (pEC(50) 7.11). The synthesized compounds seem to be selective for the UII receptor as no activities were observed at the closely related SSTR3 and 5 receptors. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.01.056
• 作为产物：
  描述：

  2,3-二甲基苯甲酸 在 氯化亚砜 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 2.33h， 生成 N,2,3-三甲基苯甲酰胺
  参考文献：
  名称：

  Isochromanone-based urotensin-II receptor agonists

  摘要：

  A series of analogues of the selective non-peptide urotensin II (UII) receptor agonist 3-(4-chlorophenyl)-3-(2-dimethylaminoethyl)-isochroman- 1-one (AC-7954, 1) was synthesized and evaluated for UII agonist activity using a functional cell-based assay. The introduction of a methyl group in the 4-position resulted in a complete loss of activity, whereas substituents in the aromatic rings were beneficial. Sterically demanding amino groups were also detrimental to the activity. Several potent agonists were identified, six compounds being equally or more potent than 1. The most potent compound in the series was the 6,7-dimethyl analogue of 1 (16, pEC(50) 6.87). The racemate of 16 was resolved into the pure enantiomers using preparative straight phase HPLC. It was shown that the potency resides in the (+)-enantiomer (pEC(50) 7.11). The synthesized compounds seem to be selective for the UII receptor as no activities were observed at the closely related SSTR3 and 5 receptors. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.01.056

文献信息

• PROCESS FOR ALKENYLATING CARBOXAMIDES
  申请人：Staffel Wolfgang

  公开号：US20090131657A1

  公开（公告）日：2009-05-21

  The present invention relates to a process for preparing N-(1-alkenyl)carboxamides of the formula I, which comprises reacting a carboxamide of the formula II with an alkyne of the formula III in the presence of a catalyst selected from among carbonyl complexes, halides and oxides of rhenium, manganese, tungsten, molybdenum, chromium and iron.

  本发明涉及一种制备式I的N-(1-烯基)羧酰胺的方法，包括在选择自铼、锰、钨、钼、铬和铁的羰基配合物、卤化物和氧化物之一作为催化剂的情况下，将式II的羧酰胺与式III的炔烃反应。
• Fused pyridine derivatives
  申请人：Eisai Co., Ltd.

  公开号：US06340759B1

  公开（公告）日：2002-01-22

  The present provides a condensed pyridine compound (I) represented by the following formula: (wherein, R2 represents ring A represents benzene ring, pyridine ring, thiophene ring or furan ring; and B represents its pharmaceutically acceptable salt or hydrates thereof, which is a clinically useful medicament having a serotonin antagonism, in particular, that for treating, ameliorating or preventing spastic paralysis or central muscle relaxants for ameliorating myotonia.

  目前提供了一种由以下公式表示的缩合吡啶化合物（I）： （其中，R2代表环A代表苯环、吡啶环、噻吩环或呋喃环；B代表其药学上可接受的盐或其水合物，是一种具有血清素拮抗作用的临床上有用的药物，特别用于治疗、改善或预防痉挛性麻痹或改善肌张力过高的中枢肌肉松弛剂。
• INDAZOLEPROPIONIC ACID AMIDE COMPOUND
  申请人：Yamaguchi Tetsuo

  公开号：US20120016117A1

  公开（公告）日：2012-01-19

  Disclosed is a compound which is useful in preventing and treating cardiac arrhythmia such as atrial fibrillation. A compound represented by formula (1) or a pharmaceutically acceptable salt of the same. In formula (1), ring X represents benzene or pyridine; R 1 represents an optionally substituted alkyl group; R 2 represents an optionally substituted aryl group, an optionally substituted heterocyclic group, an optionally substituted arylalkyl group or an optionally substituted heterocyclic group-substituted alkyl group; R 3 , R 4 , R 5 , R 6 , R 7 , R 8 and R 9 represent each hydrogen or an alkyl group, provided that R 3 and R 5 may be bonded to each other to form, together with the carbon atom adjacent thereto, a cycloalkyl group; and m represents 0 or 1.

  本申请揭示了一种化合物，用于预防和治疗心律失常，如心房纤颤。该化合物由式（1）表示，或者其药学上可接受的盐。在式（1）中，环X代表苯或吡啶；R1代表可选择地取代的烷基基团；R2代表可选择地取代的芳基基团，可选择地取代的杂环基团，可选择地取代的芳基烷基基团或可选择地取代的杂环基团取代的烷基基团；R3、R4、R5、R6、R7、R8和R9分别代表氢或烷基基团，但R3和R5可以结合在一起，与相邻的碳原子一起形成环烷基基团；m代表0或1。
• [EN] UROTENSIN II RECEPTOR MODULATORS<br/>[FR] MODULATEURS DU RECEPTEUR DE L'UROTENSINE II
  申请人：ACADIA PHARM INC

  公开号：WO2003104216A1

  公开（公告）日：2003-12-18

  Disclosed are compounds of Formula I, or salts or prodrugs thereof, complexed with a human urotensin II receptor as defined herein. Also disclosed are compounds of Formula II, or salts or prodrugs thereof, as defined herein. Also disclosed are methods of modulating the activity of a urotensin II receptor using a compound of Formula I, or a compound of Formula II, or salts or prodrugs thereof. In addition, methods of treating diseases related to the activity of urotensin II receptors are disclosed.

  本文披露了根据本文所定义的与人类尿嘧啶 II 受体形成络合物的 Formula I 化合物，或其盐或前药。还披露了根据本文所定义的 Formula II 化合物，或其盐或前药。还披露了使用 Formula I 化合物、Formula II 化合物、或其盐或前药来调节尿嘧啶 II 受体活性的方法。此外，还披露了治疗与尿嘧啶 II 受体活性相关疾病的方法。
• [EN] INSECTICIDAL COMPOUNDS<br/>[FR] COMPOSÉS INSECTICIDES
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：WO2014067838A1

  公开（公告）日：2014-05-08

  The present invention relates to novel triazole derivatives of formula (I) having insecticidal activity, to processes and intermediates for preparing them, to insecticidal, acaricidal, nematicidal or molluscicidal compositions comprising them and to methods of using them to combat and control insect, acarine, nematode or mollusc pests; wherein R1, R2, G1, G2, Q1 and Q2 are as defined in claim 1; or salts thereof.

  本发明涉及具有杀虫活性的新型三唑衍生物的化学式(I)，以及用于制备它们的过程和中间体，包括含有它们的杀虫、杀螨、杀线虫或杀软体动物的组合物，以及使用它们来对抗和控制昆虫、螨类、线虫或软体动物害虫的方法；其中R1、R2、G1、G2、Q1和Q2如权利要求书中所定义；或其盐。