Phenyl-1 acetyl-3 pyrrole | 128942-92-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: Phenyl-1 acetyl-3 pyrrole
• 英文别名: 3-Acetyl-1-phenylpyrrole；1-(1-Phenyl-1H-pyrrol-3-yl)ethanone；1-(1-phenylpyrrol-3-yl)ethanone
• CAS: 128942-92-7
• 化学式: C₁₂H₁₁NO
• 分子量: 185.225
• InChiKey: HNUYDKPAFPJIKZ-UHFFFAOYSA-N

物化性质

• 沸点：
  313.6±15.0 °C(predicted)
• 密度：
  1.05±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  22
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  Phenyl-1 acetyl-3 pyrrole 在 N,N,N-trimethylbenzenemethanaminium dichloroiodate 作用下， 以 四氢呋喃 为溶剂， 以93%的产率得到1-Phenyl-3-chloroacetylpyrrole
  参考文献：
  名称：

  Croce, Piero Dalla; Ferraccioli, Rafaella; Ritieni, Alberto, Synthesis, 1990, # 3, p. 212 - 213

  摘要：

  DOI：
• 作为产物：
  描述：

  3-allyl-5-methyl-hex-4-en-2-one 在 acide tosylique 、 臭氧 、 三苯基膦 作用下， 以 苯 为溶剂， 生成 Phenyl-1 acetyl-3 pyrrole
  参考文献：
  名称：

  Synthese d'acetoacetaldehydes mono- et di-substitues par des chaines fonctionnalisees

  摘要：

  DOI：

  10.1016/s0040-4020(01)87836-4

文献信息

• Copper-mediated N-arylation of electron-deficient pyrroles and indoles
  作者：Henri Bekolo

  DOI：10.1139/v06-187

  日期：2007.1.1

  We have found that it is possible to N-arylate electron-deficient pyrroles and indoles having no carbonyl group α to the nitrogen ring in good to excellent yields under the Chan and Lam conditions using N-Ethyldiisopropylamine (DIEA) base as a substitute for triethylamine (TEA) and pyridine.Key words: cupric acetate, arylboronic acid, N-arylation, pyrroles, indoles.

  我们发现，使用 N-乙基二异丙基胺 (DIEA) 碱替代三乙胺 (TEA) 和吡啶，可以在 Chan 和 Lam 条件下对氮环α上没有羰基的缺电子吡咯和吲哚进行 N-芳基化反应，并获得良好甚至极佳的产率。
• BRANCHED CHAIN ALKYL HETEROAROMATIC RING DERIVATIVE
  申请人：TAISHO PHARMACEUTICAL CO., LTD.

  公开号：US20150166523A1

  公开（公告）日：2015-06-18

  A branched chain alkyl heteroaromatic ring derivative represented by formula (Ia) or a pharmaceutically acceptable salt thereof is useful for treatment or prophylaxis of diseases such as sleep disorder, depression, anxiety disorder, panic disorder, schizophrenia, drug dependence, Alzheimer's disease, Parkinson's disease, Huntington's disease, eating disorder, cephalalgia, hemicrania, pain, digestive diseases, epilepsy, inflammation, immune-related diseases, endocrine-related diseases and hypertension, on the basis of the orexin (OX) receptor antagonist activity.

  具有分支链烷基杂环芳香环衍生物的化合物公式（Ia）或其药学上可接受的盐，基于促进睡眠、抗抑郁、抗焦虑、抗惊恐、抗精神分裂症、抗药物依赖、抗阿尔茨海默病、抗帕金森病、抗亨廷顿病、抗进食障碍、抗头痛、抗偏头痛、抗疼痛、抗消化系统疾病、抗癫痫、抗炎以及抗免疫和内分泌相关疾病和高血压等疾病的治疗或预防，基于其促进促进睡眠荷尔蒙（OX）受体拮抗活性。
• Novel image-dye-forming couplers and photographic elements containing them
  申请人：KODAK LIMITED

  公开号：EP0751428A1

  公开（公告）日：1997-01-02

  The present invention comprehends the use of novel pyrroloylacetamides as image-dye-forming couplers, specifically yellow dye-forming couplers, for use with silver halide based photographic systems. In one aspect the invention provides a coupler of formula (I):- wherein X is H or a coupling-off group, R and R1 are independently selected from H and coupler-modifying functional groups; Y and Z are the same or different and are H or independently selected from alkyl, aryl or heteroaryl, each of which is unsubstituted or substituted with one or more coupler modifying functional groups; or Y and Z taken together with the nitrogen atom form a 5-10 membered heterocyclic ring which may contain one or more further heteroatoms selected from N, O and S, said heterocyclic ring being unsubstituted or substituted with one or more coupler modifying functional groups. Preferred compounds are those wherein Y is H and Z is a phenyl group, which may be mono- or di- substituted.

  本发明包括使用新型吡咯基乙酰胺作为图像染料形成耦合剂，特别是黄色染料形成耦合剂，用于卤化银基照相系统。在一个方面，本发明提供了一种式 (I) 的耦合剂：- 其中 X 是 H 或耦合剂。 其中 X 是 H 或耦合关闭基团，R 和 R1 独立选自 H 和耦合剂修饰官能团；Y 和 Z 相同或不同，并且是 H 或独立选自烷基、芳基或杂芳基，其中每个都是未取代的或被一个或多个耦合剂修饰官能团取代的；或 Y 和 Z 与氮原子一起形成 5-10 个成员的杂环，该杂环可包含一个或多个选自 N、O 和 S 的杂原子，所述杂环未被取代或被一个或多个耦合剂修饰官能团取代。 其中 Y 是 H，Z 是苯基，可以是单取代或二取代的苯基。
• Rhodium(III)-Catalyzed Direct Selective C(5)–H Oxidative Annulations of 2-Substituted Imidazoles and Alkynes by Double C–H Activation
  作者：Ji-Rong Huang、Qian-Ru Zhang、Chuan-Hua Qu、Xun-Hao Sun、Lin Dong、Ying-Chun Chen

  DOI：10.1021/ol400537b

  日期：2013.4.19

  Double C-H activations of C(5)-H and Csp(2)-H of 2-substituted N-vinyl- or arylimidazoles were realized without heteroatom-directing assistance by rhodium(III) catalyst. A subsequent oxidative annulation reaction with alkynes efficiently produced aza-fused heterocycles with high molecular complexity in low to excellent yields.
• IAP BIR DOMAIN BINDING COMPOUNDS
  申请人：Laurent Alain

  公开号：US20130040892A1

  公开（公告）日：2013-02-14

  A compound of Formula 1: (I) or salt thereof, as well as methods of making compounds of Formula 1, methods of using compounds of Formula 1 to treat proliferative disorders such as cancer, and related compounds, composition, and methods.