3,5,5-trimethyl-1-phenylpyrazoline | 10252-48-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3,5,5-trimethyl-1-phenylpyrazoline
• 英文别名: 3,5,5-Trimethyl-1-phenyl-4,5-dihydro-1H-pyrazol；1-Phenyl-3,5,5-trimethyl-Δ²-pyrazolin；1-Phenyl-3,5,5-trimethyl-pyrazolin-2；1-Phenyl-3,5,5-trimethyl-2-pyrazolin；3,5,5-trimethyl-1-phenyl-4,5-dihydro-1H-pyrazole；3,5,5-Trimethyl-1-phenyl-2-pyrazolin；1-phenyl-3,5,5-trimethylpyrazoline；3,5,5-trimethyl-1-phenyl-4H-pyrazole
• CAS: 10252-48-9
• 化学式: C₁₂H₁₆N₂
• 分子量: 188.272
• InChiKey: QXDPFMXJCDIGIC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  15.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3,5,5-trimethyl-1-phenylpyrazoline 以10%的产率得到
  参考文献：
  名称：

  KOST A. N.; SVIRIDOVA L. A.; LEBEDENKO N. YU., BECTH. MOSK. YH-TA. XIMIYA , 1975, 16, HO 1, 82-86

  摘要：

  DOI：
• 作为产物：
  描述：

  1-Phenyl-3,5,5-trimethyl-pyrazolidin 生成 3,5,5-trimethyl-1-phenylpyrazoline
  参考文献：
  名称：

  DEEVA N. YU.; KOST A. N., XIMIYA GETEROTSIKL. SOEDIN., 1980, HO 2, 228-233

  摘要：

  DOI：

文献信息

• SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES
  申请人：Bayer Aktiengesellschaft

  公开号：US20200390100A1

  公开（公告）日：2020-12-17

  The present invention relates to substituted N-heterocyclyl- and N-heteroaryltetrahydropyrimidinones of the general formula (I) or salts thereof, where the radicals in the general formula (I) correspond to the definitions given in the description, and to the use thereof as herbicides, in particular for controlling broad-leaved weeds and/or weed grasses in crops of useful plants and/or as plant growth regulators for influencing the growth of crops of useful plants.

  本发明涉及通式（I）或其盐的取代N-杂环烷基和N-杂芳基四氢嘧啶酮，其中通式（I）中的基团对应于描述中给出的定义，并将其用作除草剂，特别是用于控制作物中的阔叶杂草和/或杂草草，并/或作为植物生长调节剂，以影响作物的生长。
• Fischer,E.; Knoevenagel, Justus Liebigs Annalen der Chemie, 1887, vol. 239, p. 196
  作者：Fischer,E.、Knoevenagel

  DOI：——

  日期：——
• v. Auwers; Kreuder, Chemische Berichte, 1925, vol. 58, p. 1981
  作者：v. Auwers、Kreuder

  DOI：——

  日期：——
• Synthesis of carbazoles via 2-vinylindoles.
  作者：J. Bergman、B. Pelcman

  DOI：10.1016/s0040-4039(01)84606-2

  日期：——
• Aldehyde dehydrogenase (ALDH) isozymes in the gray short-tailed opossum (Monodelphis domestica): Tissue and subcellular distribution and biochemical genetics of ALDH3
  作者：Roger S. Holmes、Roland A. H. van Oorschot、John L. VandeBerg

  DOI：10.1007/bf00554209

  日期：1991.4

  Polyacrylamide gel isoelectric focusing (PAGE-IEF), cellulose acetate electrophoresis, and histochemical techniques were used to examine the tissue and subcellular distribution, genetics and biochemical properties of aldehyde dehydrogenase (ALDH) isozymes in a didelphid marsupial, the gray short-tail opossum (Monodelphis domestica). At least 14 zones of activity were resolved by PAGE-IEF and divided into five isozyme groups and three ALDH classes, based upon comparisons with properties previously reported for human, baboon, rat, and mouse ALDHs. Opossum liver ALDHs were distributed among cytosol (ALDHs 1 and 5) and large granular (mitochondrial) fractions (ALDHs 2 and 5). Similarly, kidney ALDHs were distributed between the cytosol (ALDH5) and the mitochondrial fractions (ALDHs 2, 4, and 5), whereas a major isozyme (ALDH3), found in high activity in cornea, esophagus, ear pinna, tail, and stomach extracts, was localized predominantly in the cytosol fraction. Phenotypic variants of the latter enzyme were shown to be inherited in a normal Mendelian fashion, with two alleles at a single locus (ALDH3) showing codominant expression. The data provided evidence for genetic identity of corneal, ear pinna, tail, and stomach ALDH3 and supported biochemical evidence from other mammalian species that this enzyme has a dimeric subunit structure.