1-(2-氯苯基)-3-环己基脲 | 72802-44-9

• 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: 1-(2-氯苯基)-3-环己基脲
• 英文名称: 1-(2-chlorophenyl)-3-cyclohexylurea
• 英文别名: N-(2-chloro-phenyl)-N'-cyclohexyl-urea；N-(2-Chlor-phenyl)-N'-cyclohexyl-harnstoff
• CAS: 72802-44-9
• 化学式: C₁₃H₁₇ClN₂O
• 分子量: 252.744
• InChiKey: KDLPRFSQGBZLFE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  41.1
• 氢给体数：
  2
• 氢受体数：
  1

安全信息

• 海关编码：
  2924299090

反应信息

• 作为反应物：
  描述：

  1-(2-氯苯基)-3-环己基脲 、 氢化铝锂 以72%的产率得到
  参考文献：
  名称：

  LETTIERI G.; LARIZZA A.; BRANCACCIO G.; MONFORTE P., ATTI. SOC. PELORIT. SCI. FIS., MAT. E NATUR., 1978, 24, NO 2, 77-80

  摘要：

  DOI：
• 作为产物：
  描述：

  2-chlorobenzoyl azide 、 环己胺 在 苯 作用下， 生成 1-(2-氯苯基)-3-环己基脲
  参考文献：
  名称：

  Sah, Journal of the Chinese Chemical Society (Peking), 1946, vol. 13, p. 22,26,27

  摘要：

  DOI：

文献信息

• Direct<i>ortho</i>-Trifluoroethylation of Aromatic Ureas by Palladium Catalyzed C-H activation: A Missing Piece of Aromatic Substitutions
  作者：Szabolcs Kovács、Balázs L. Tóth、Gábor Borsik、Tamás Bihari、Nóra V. May、András Stirling、Zoltán Novák

  DOI：10.1002/adsc.201601136

  日期：2017.2.2

  Development of direct late‐stage installation of alkyl groups into aromatic systems is an important and challenging task of current organic chemistry. In spite of the existing functionalization methods in organic chemistry for the substitution reactions on aromatic systems, the direct alkylation of aromatic ureas is unknown. Herein, as a first example we report a novel palladium catalyzed fluoroalkylation

  将烷基直接后期安装到芳族体系中的开发是当前有机化学中一项重要且具有挑战性的任务。尽管有机化学中存在用于芳族体系上取代反应的现有官能化方法，但芳族脲的直接烷基化仍是未知的。在本文中，作为第一个例子，我们报道了一种通过CH活化的钯催化的氟烷基化过程，用于邻位的访问。三氟乙基化的芳香族脲。新型高活性三氟乙基（甲磺酸）碘鎓盐的应用可以在25°C下3小时内高效引入三氟乙基（产率高达95％），并且具有良好的官能团耐受性。DFT计算表明，在催化循环期间，Pd中心的氧化氢基团转移之前是意外的CH活化路径，该反应决定了氧化烷基的转移速率，其中去质子化由外部三氟甲磺酸根阴离子辅助。
• New sulphonyl compounds, method of preparing the new compounds, as well as aphicidal compositions on the basis of the new compounds
  申请人：DUPHAR INTERNATIONAL RESEARCH B.V

  公开号：EP0033984A1

  公开（公告）日：1981-08-19

  The invention relates to new sulphonyl compounds of the general formula wherein X is a halogen atom, a phenoxy group, or an alkyl group or alkoxy group having 1-4 carbon atoms and substituted, if desired, with halogen; R1 is a cyano group, and R2 is an amino group which, if desired, may be substituted with halogen, with one or two alkenyl groups or alkynyl groups having 2-6 carbon atoms or with one or two alkyl groups having 1-6 carbon atoms, which alkyl groups. together with the nitrogen atom to which they are bound may form a saturated heterocyclic ring which ring may also contain a second hetero atom seieted from the group consisting of nitrogen oxygen and suiphor or which alkyl groups may be substituted with an alkoxy group having 1-4 carbon atoms, or with a olalkylamine group having 2-6 carbon atoms the alkyl groups of which, together with the nitrogen atom to which they are bound, may form a saturated heterocyclic ring; or wherein Ri and R2 together form a S,S-dialkylsulphox- imido group the alkyl groups of which comprise 1-4 carbon atoms, or a 1-amino-2-azavinylene group, of which the amino group is substituted, if desired, with a cycloalkylcarbamoyl group having 4-8 carbon atoms, an alkylcarbamoyl group having 2-5 carbon atoms, a dialkylamino group the alkyl group of which comprise 1-4 carbon atoms, or an alkyl group having 1-4 carbon atoms which alkyl group may be substituted with a hydroxy group or one or more halogen atoms; or wherein R1 and R2 together form a 1-imino-2-azaethy- lene group of which the ring nitrogen is substituted with an alkyl group or alkenyl group having 1-4 carbon atoms, and of wich the imino group may be substituted with a substituted or non-substituted phenyl-carbamoyl group, having aphicidal activity After having been processed to compositions the compounds may be used for the control of aphids in agriculture and forestry in a dosage from 20 to 5,000 g of actve substance per hectare

  本发明涉及通式如下的新型磺酰基化合物 式中 X 是卤素原子、苯氧基或具有 1-4 个碳原子的烷基或烷氧基，如果需要，可被卤素取代； R1 是氰基，以及 R2 是氨基，如有需要，可被卤素、一个或两个具有 2-6 个碳原子的烯基或炔基或一个或两个具有 1-6 个碳原子的烷基取代，这些烷基这些烷基与所结合的氮原子一起可形成一个饱和杂环，该环还可包含第二个杂原子，该杂原子可从氮氧和亚硫原子组成的组中分离出来，或者这些烷基可被具有 1-4 个碳原子的烷氧基取代，或被具有 2-6 个碳原子的醇烷基胺取代，这些烷基与所结合的氮原子一起可形成一个饱和杂环； 或其中 Ri 和 R2 共同形成一个 S,S-二烷基磺酰亚胺基团（其烷基包含 1-4 个碳原子），或一个 1-氨基-2-氮杂双烯基团，如果需要，其中的氨基被一个具有 4-8 个碳原子的环烷基氨基甲酰基取代、具有 2-5 个碳原子的烷基氨基甲酰基、其烷基由 1-4 个碳原子组成的二烷基氨基基团，或具有 1-4 个碳原子的烷基基团，该烷基基团可被羟基或一个或多个卤素原子取代； 或其中 R1 和 R2 共同形成 1-亚氨基-2-氮杂环烯基，其环氮被具有 1-4 个碳原子的烷基或烯基取代，其中亚氨基可被取代或未被取代的苯基氨基甲酰基取代、 具有杀蚜活性的化合物 在加工成组合物后，可用于农业和林业中防治蚜虫，每公顷用量为 20 至 5 000 克活性物质。
• Methods for modulating taste receptors
  申请人：MARS, INCORPORATED

  公开号：US11185100B2

  公开（公告）日：2021-11-30

  Amino acids present in domains of an umami taste receptor are described herein, wherein the amino acids interact with at least one nucleotide derivative and/or at least one transmembrane compound that potentiates, modulates, increases, and/or enhances the activity of the umami receptor. Such compounds can be used in flavor compositions to enhance the umami taste and/or palatability of food products.

  本文描述了存在于鲜味受体结构域中的氨基酸，其中氨基酸与至少一种核苷酸衍生物和/或至少一种跨膜化合物相互作用，从而增强、调节、增加和/或提高鲜味受体的活性。此类化合物可用于调味组合物，以增强食品的鲜味和/或适口性。
• FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME
  申请人：Mars, Incorporated

  公开号：EP3229610B1

  公开（公告）日：2021-06-09
• METHODS FOR MODULATING TASTE RECEPTORS
  申请人：MARS, INCORPORATED

  公开号：US20180255813A1

  公开（公告）日：2018-09-13

  Amino acids present in domains of an umami taste receptor are described herein, wherein the amino acids interact with at least one nucleotide derivative and/or at least one transmembrane compound that potentiates, modulates, increases, and/or enhances the activity of the umami receptor. Such compounds can be used in flavor compositions to enhance the umami taste and/or palatability of food products.