5-propyl-2-(m-tolyl)-2,4-dihydro-3H-pyrazol-3-one | 439289-89-1

• 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: 5-propyl-2-(m-tolyl)-2,4-dihydro-3H-pyrazol-3-one
• 英文别名: 2-(3-methylphenyl)-5-propyl-4H-pyrazol-3-one
• CAS: 439289-89-1
• 化学式: C₁₃H₁₆N₂O
• mdl: MFCD11174666
• 分子量: 216.283
• InChiKey: WTVGJFKUQMYART-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.384
• 拓扑面积：
  32.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-propyl-2-(m-tolyl)-2,4-dihydro-3H-pyrazol-3-one 、 二甲基亚砜 在 lithium bromide monohydrate 、 sodium acetate 作用下， 反应 6.0h， 以57%的产率得到(4Z)-2,4-dihydro-4-[[5-hydroxy-1-(3-methylphenyl)-3-propyl-1H-pyrazol-4-yl]methylene]-2-(3-methylphenyl)-5-propyl-3H-pyrazol-3-one
  参考文献：
  名称：

  The Synthesis of Dipyrazolylmethanes, X-Ray Structure Analysis

  摘要：

  A small dipyrazoylmethane compounds library was established via the reaction of 5-alkyl- and 5-aryl-2-aryl-3H-pyrazol-3-ones with DMSO in the presence of NaOAc center dot 3H(2)O as base using LiBr center dot H2O as additive at 100 degrees C.

  DOI：

  10.3987/com-13-12840

文献信息

• <i>N</i>-Triflination of pyrazolones: a new method for N–S bond formation
  作者：Ahwan Panigrahi、Nachimuthu Muniraj、Kandikere Ramaiah Prabhu

  DOI：10.1039/d1ob00862e

  日期：——

  developed for the N-triflination of pyrazolones using CF3SO2Na (Langlois reagent) and phenyliodine(III)bis(trifluoroacetate) (PIFA). This reaction takes place at the imine nitrogen centre instead of the more reactive C4-position, forming a new N–S bond. A variety of pyrazolone derivatives were subjected to the reaction. Unlike the previous reports on sulfenylation or sulfonylation of pyrazolone, wherein

  使用CF 3 SO 2 Na（朗格鲁瓦试剂）和苯碘（III）双（三氟乙酸）（PIFA）开发了一种在5分钟内快速完成的简单方法，用于吡唑啉酮的N-三氟化。该反应发生在亚胺氮中心而不是更具反应性的 C4 位，形成新的 N-S 键。多种吡唑啉酮衍生物进行反应。与之前关于吡唑啉酮磺酰化或磺酰化的报道不同，其中形成了相应的 C-S 键，这种新方法导致在室温下形成杂-杂原子键（N-S 键）。
• Metal complex type squarylium compounds and optical recording media made by using the same
  申请人：——

  公开号：US20030187272A1

  公开（公告）日：2003-10-02

  An object of the present invention is to provide a material having spectroscopic properties, light resistance, solubility and thermal decomposition properties suitable for recording for DVD-R. More specifically, the present invention provides squarylium compounds in a state of a metal complex represented by the general formula (I): 1 wherein, R 1 and R 2 are the same or different, and represent an alkyl group optionally having a substituent, an aralkyl group optionally having a substituent, an aryl group optionally having a substituent, or a heterocyclic group optionally having a substituent; Q represents a metal atom with a coordination ability; q represents 2 or 3; and A represents an aryl group optionally having a substituent, a heterocyclic group optionally having a substituent, or Y═CH— wherein Y represents an aryl group optionally having a substituent or a heterocyclic group optionally having a substituent.

  本发明的目的是提供一种具有光谱特性、耐光性、溶解性和热分解特性的材料，适于 DVD-R 的记录。更具体地说，本发明提供了通式（I）所代表的金属络合物状态的鳞片化合物： 1 其中，R 1 和 R 2 代表具有配位能力的金属原子；q 代表 2 或 3；A 代表具有取代基的芳基、具有取代基的杂环基或 Y═CH-，其中 Y 代表具有取代基的芳基或具有取代基的杂环基。
• METAL COMPLEX TYPE SQUARYLIUM COMPOUNDS AND OPTICAL RECORDING MEDIA MADE BY USING THE SAME
  申请人：Kyowa Hakko Chemical Co., Ltd.

  公开号：EP1334998B1

  公开（公告）日：2006-08-02
• US6660867B2
  申请人：——

  公开号：US6660867B2

  公开（公告）日：2003-12-09
• The Synthesis of Dipyrazolylmethanes, X-Ray Structure Analysis
  作者：Hengchang Ma、Yuan Ma、Jinxia Wang

  DOI：10.3987/com-13-12840

  日期：——

  A small dipyrazoylmethane compounds library was established via the reaction of 5-alkyl- and 5-aryl-2-aryl-3H-pyrazol-3-ones with DMSO in the presence of NaOAc center dot 3H(2)O as base using LiBr center dot H2O as additive at 100 degrees C.