1-(p-ethylbenzoyl)pyrrolidine | 59746-41-7

• 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: 1-(p-ethylbenzoyl)pyrrolidine
• 英文别名: N-(4-ethylbenzoyl)pyrrolidine；(4-ethylphenyl)(pyrrolidin-1-yl)methanone；(4-ethylphenyl)-pyrrolidin-1-ylmethanone
• CAS: 59746-41-7
• 化学式: C₁₃H₁₇NO
• mdl: MFCD09873003
• 分子量: 203.284
• InChiKey: JMBRGZCUPSPMRD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.461
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-(p-ethylbenzoyl)pyrrolidine 在 sodium hydroxide 、 fungus Beauveria bassiana ATCC 7159 作用下， 以 乙醇 、 水 为溶剂， 反应 72.0h， 以83%的产率得到1-(1-hydroxyethylbenzoyl)pyrrolidine
  参考文献：
  名称：

  A new paradigm for biohydroxylation by Beauveria bassiana ATCC 7159

  摘要：

  The biohydroxylation of a series of amides and related amino, keto and hydrocarbon substrates by the fungal biocatalyst Beauveria bassiana ATCC 7159 has been examined. The product distributions, together with data obtained from selective inhibition experiments using the cyt.P-450 inhibitors isosafrole, 1-aminobenzotriazole and phenylacetylene, suggest that B. bassiana contains a range of hydroxylase enzymes with different substrate specificities. A paradigm is presented for the interpretation of the results of microbial hydroxylation and for the application of existing active site models for B. bassiana. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(99)00393-2
• 作为产物：
  描述：

  4-氯苯甲酰氯 在 iron(III)-acetylacetonate 、 四甲基乙二胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 16.0h， 生成 1-(p-ethylbenzoyl)pyrrolidine
  参考文献：
  名称：

  铁/四甲基乙二胺催化的烷基格氏试剂与芳基氯化物的环境温度偶联

  摘要：

  四甲基乙二胺（TMEDA）在烷基格氏试剂和活化的芳基氯化物的铁催化偶合中起廉价且易于除去的配体的作用。TMEDA的使用允许低的配体和铁催化剂负载以及增加的反应浓度和摩尔规模的环境反应温度。

  DOI：

  10.1021/jo4016612

文献信息

• [EN] MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS<br/>[FR] COMPOSÉS DE MORPHOLINONE EN TANT QU'INHIBITEURS DE FACTEUR IXA
  申请人：MOCHIDA PHARM CO LTD

  公开号：WO2010065717A1

  公开（公告）日：2010-06-10

  The present invention provides a compound of Formula (I) as described herein, or a pharmaceutically acceptable salt or a solvate thereof. The present invention also provides pharmaceutical compositions comprising one or more said compounds, and methods for using said compounds for treating or preventing a thromboses, embolisms, hypercoagulability or fibrotic changes.

  本发明提供了如下描述的化合物I的化合物，或其药用可接受的盐或溶剂。本发明还提供包含一个或多个所述化合物的药物组合物，以及使用所述化合物治疗或预防血栓、栓塞、高凝血性或纤维变化的方法。
• [EN] SUBSTITUTED PYRROLOPYRDINES AS INHIBITORS OF BROMODOMAIN<br/>[FR] PYRROLOPYRIDINES SUBSTITUÉES UTILISÉES EN TANT QU'INHIBITEURS DE BROMODOMAINES
  申请人：GENENTECH INC

  公开号：WO2016077378A1

  公开（公告）日：2016-05-19

  The present invention relates to compounds of formula (I) and to salts thereof, wherein R1, R2, and Q have any of the values defined in the specification, and compositions and uses thereof. The compounds are useful as inhibitors of bromodomains. Also included are pharmaceutical compositions comprising a compound of formula (I) or a pharmaceutically acceptable salt thereof, and methods of using such compounds and salts in the treatment of various bromodomain-mediated disorders.

  本发明涉及式(I)的化合物及其盐，其中R1、R2和Q具有规范中定义的任何值，以及其组合物和用途。这些化合物可用作溴结构域的抑制剂。还包括包含式(I)的化合物或其药学上可接受的盐的药物组合物，以及在治疗各种溴结构域介导的疾病中使用这些化合物和盐的方法。
• 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF
  申请人：Augereau Michel Jean

  公开号：US20070099895A1

  公开（公告）日：2007-05-03

  A 1-amino-phthalazine derivative of general formula (I) wherein the substituents are as defined herein. Also disclosed are a method for preparing such compounds, intermediates for use in such method and medical treatments using the compounds of formula (I).

  通用式（I）的1-氨基邻苯二酮衍生物，其中取代基如本文所定义。还披露了制备这类化合物的方法，用于该方法的中间体以及使用式（I）化合物进行医疗治疗的方法。
• NICOTINAMIDES AS JAK KINASE MODULATORS
  申请人：Bauer Shawn M.

  公开号：US20120108566A1

  公开（公告）日：2012-05-03

  The present invention is directed to compounds of formula I and pharmaceutically acceptable salts, esters, and prodrugs thereof which are inhibitors of JAK kinase. The present invention is also directed to intermediates used in making such compounds, the preparation of such a compound, pharmaceutical compositions containing such a compound, methods of inhibition JAK kinase activity, methods of inhibition the platelet aggregation, and methods to prevent or treat a number of conditions mediated at least in part by JAK kinase activity, such as undesired thrombosis and Non Hodgkin's Lymphoma.

  本发明涉及具有公式I的化合物及其药用可接受的盐、酯和前药，这些化合物是JAK激酶的抑制剂。本发明还涉及用于制备这类化合物的中间体，该化合物的制备，含有该化合物的药物组合物，抑制JAK激酶活性的方法，抑制血小板聚集的方法，以及预防或治疗至少部分由JAK激酶活性介导的多种疾病条件的方法，例如不良血栓形成和非霍奇金淋巴瘤。
• Rhodium-Catalyzed Amination and Annulation of Arenes with Anthranils: C-H Activation Assisted by Weakly Coordinating Amides
  作者：Manman Wang、Lingheng Kong、Fen Wang、Xingwei Li

  DOI：10.1002/adsc.201700899

  日期：2017.12.19

  A rhodium(III)‐catalyzed C−H amination of benzamides and isoquinolones with anthranils has been realized under assistance of weakly coordinating amide, leading to a bifunctionalized amination product which can further cyclize to acridine under in situ or ex situ conditions.

  在弱配位酰胺的辅助下，苯甲酰胺和异喹诺酮的铑（III）催化的CH氨基化反应已在弱配位酰胺的辅助下实现，从而产生了一种双官能化的胺化产物，该产物可以在原位或异位条件下进一步环化为a啶。