7-bromo-1-phenylheptan-1-one | 65542-33-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 7-bromo-1-phenylheptan-1-one
• 英文别名: 7-Bromo-1-phenyl-1-heptanone
• CAS: 65542-33-8
• 化学式: C₁₃H₁₇BrO
• 分子量: 269.181
• InChiKey: JRMOIBPEDDJLLG-UHFFFAOYSA-N

物化性质

• 沸点：
  140-150 °C(Press: 0.03 Torr)
• 密度：
  1.242±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  15
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  7-bromo-1-phenylheptan-1-one 在 硫酸 、 乙酸酐 、 aluminum isopropoxide 作用下， 以 异丙醇 为溶剂， 生成 7-(2-Methoxy-4-nitro-phenoxy)-1-phenyl-hepten-(1)
  参考文献：
  名称：

  363.血吸虫病的化学疗法。第四部分 4-氨基-2-甲氧基苯酚的一些醚

  摘要：

  DOI：

  10.1039/jr9610001863
• 作为产物：
  描述：

  在 水 、 氢溴酸 、 丙酸 作用下， 生成 7-bromo-1-phenylheptan-1-one
  参考文献：
  名称：

  Ueno, Satoshi; Shimizu, Ryosuke; Kuwano, Ryoichi, Angewandte Chemie - International Edition, 2009, vol. 48, p. 4543 - 4545

  摘要：

  DOI：

文献信息

• LUMINESCENT COMPOUNDS
  申请人：Terpetschnig Ewald A.

  公开号：US20120035346A1

  公开（公告）日：2012-02-09

  Dyes and photoluminescent compounds based on polymethine dyes that contain at least one alkyl-phosphonate or substituted alkyl-phosphonate group, including the synthetic precursors, methods of synthesis, and applications thereof. Certain embodiments include heterocyclic ring systems and polymethine linkage are selected such that the resulting polymethine dye is a cyanine dye, a merocyanine dye, or a styryl dye.

  基于聚甲烯染料的染料和光致发光化合物，其中至少含有一个烷基膦酸酯或取代烷基膦酸酯基团，包括合成前体、合成方法及其应用。某些实施例包括选择杂环环系统和聚甲烯链结构，以使得所得的聚甲烯染料为青菁染料、美洛青菁染料或偶氮染料。
• Intramolecular Cyclization of Brominated Oxime Ether Promoted with Ytterbium(0) to the Synthesis of Cyclic Imines
  作者：Yiqiong Wang、Fei Huang、Songlin Zhang

  DOI：10.1002/ejoc.202000678

  日期：2020.8.31

  A general, efficient, and experimentally simple one‐pot new method for the synthesis of cyclic imines through intramolecular cyclization of brominated oxime ether promoted by ytterbium(0) was reported for the first time. In this new strategy for the construction of cyclic imines, the N–O bond is used as a receptor of ytterbium reagent rather than as a source of N‐centred radical.

  首次报道了通过，（0）促进的溴化肟醚分子内环化合成环亚胺的通用，高效且实验简单的新方法。在这种构建环状亚胺的新策略中，N-O键用作as试剂的受体，而不是N-中心自由基的来源。
• Benzoic acid compounds and use thereof as medicaments
  申请人：Yoshitomi Pharmaceutical Industries, Ltd.

  公开号：US05864039A1

  公开（公告）日：1999-01-26

  Benzoic acid compounds of the formula ##STR1## wherein each symbol is as defined in the specification, optical isomers thereof and pharmaceutically acceptable salts thereof; pharmaceutical composition comprising this compound and pharmaceutically acceptable additive; and serotonin 4 receptor agonists, gastrointestinal prokinetic agents and therapeutic agents for various gastrointestinal diseases, which comprise this compound as active ingredient. The compounds of the present invention have high and selective affinity for serotonin 4 receptor, and show agonistic effects thereon. Accordingly, they are useful medications for the prophylaxis and treatment of various gastrointestinal diseases, central nervous disorders, cardiac function disorders, urinary diseases, and the like, as well as useful anti-nociceptors for analgesic use which increase threshold of pain.

  苯甲酸化合物的化学式为##STR1##，其中每个符号如规范中定义，其光学异构体及其药用可接受盐；包括该化合物和药用可接受添加剂的药物组合物；以及将该化合物作为活性成分的5-羟色胺4受体激动剂、胃肠促动力剂和用于各种胃肠疾病的治疗剂。本发明的化合物具有对5-羟色胺4受体的高度和选择性亲和力，并显示出激动效应。因此，它们可用于预防和治疗各种胃肠疾病、中枢神经障碍、心脏功能障碍、泌尿系统疾病等，同时还可用作提高疼痛阈值的镇痛用途的有用抗痛觉剂。
• Iminyl Radicals by Reductive Cleavage of N–O Bond in Oxime Ether Promoted by SmI₂: A Straightforward Synthesis of Five-Membered Cyclic Imines
  作者：Fei Huang、Songlin Zhang

  DOI：10.1021/acs.orglett.9b02740

  日期：2019.9.20

  A new generation method of N-centered radicals from the reductive cleavage of the N-O bond in oxime ether promoted by SmI2 is reported for the first time. The in-situ-generated N-centered radicals underwent intramolecular cyclization to afford five-membered cyclic imines in two manners: N-centered radical addition and N-centered anion nucleophilic substitution. From a synthetic point of view, an efficient

  首次报道了由SmI2促进的肟醚中NO键的还原性裂解形成的一种以N为中心的自由基的新方法。原位生成的N中心自由基经过分子内环化以两种方式提供五元环亚胺：N中心自由基加成和N中心阴离子亲核取代。从合成的观点出发，开发了一种有效的五元环亚胺的合成方法。提出了一种转化机制。
• Luminescent compounds
  申请人：——

  公开号：US20040166515A1

  公开（公告）日：2004-08-26

  The invention provides reporter compounds based on squaric, croconic, and/or rhodizonic acid, among others, reactive intermediates used to synthesize the reporter compounds, and methods of synthesizing and using the reporter compounds, among others. The reporter compounds relate generally to the following structure: 1 Here, Z is a four, five, or six-member aromatic ring, and A, B, C, D, E, and F are substituents of Z, where F is absent when Z is a five-member ring, and where E and F are absent when Z is a four-member ring. A, B, C, D, E, and F are selected from a variety of elements and groups, including but not necessarily limited to O, S, Se, Te, C(R a )(R b ), N—R c , N(R d )(R e ), W 1 , and W 2 . 2

  该发明提供了基于方酰、丛酰和/或罗迪酮酸等反应中间体的报告化合物，用于合成报告化合物的反应中间体，以及合成和使用报告化合物的方法等。报告化合物通常与以下结构相关：1在这里，Z是一个四、五或六元芳香环，而A、B、C、D、E和F是Z的取代基，当Z是一个五元环时，F不存在，当Z是一个四元环时，E和F不存在。A、B、C、D、E和F可从各种元素和基团中选择，包括但不限于O、S、Se、Te、C(Ra)(Rb)、N—Rc、N(Rd)(Re)、W1和W2。2