2-Isopropyl-3-ketobuttersaeureanilid | 89080-91-1

• 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: 2-Isopropyl-3-ketobuttersaeureanilid
• 英文别名: 3-isopropylacetoacetanilide；2-isopropyl-acetoacetic acid anilide；2-Isopropyl-acetessigsaeure-anilid；2-Acetyl-3-methyl-N-phenylbutanamide
• CAS: 89080-91-1
• 化学式: C₁₃H₁₇NO₂
• 分子量: 219.283
• InChiKey: KOGGVCFTLJOEPU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  46.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-Isopropyl-3-ketobuttersaeureanilid 在 劳森试剂 、 硫酸 作用下， 以 甲苯 为溶剂， 反应 3.0h， 生成 3-isopropyl-4-methyl-2(1H)-thioquinolone
  参考文献：
  名称：

  Synthesis and 5-hydroxytryptamine antagonist activity of 2-[[2-(dimethylamino)ethyl]thio]-3-phenylquinoline and its analogs

  摘要：

  A series of 2-[(2-aminoethyl)thio]quinolines substituted at the 3-position with alkyl, aryl, or heteroaryl groups has been prepared in the search for novel and selective 5-HT2 antagonists. The affinity of the compounds for 5-HT1 receptor sites was measured by their ability to displace [3H]-5-HT from rat brain synaptosomes whereas the affinity for 5-HT2 receptor sites was measured by their ability to displace [3H]spiperone from synaptosomes prepared from rat brain cortex. The 5-HT2 antagonist properties of the compounds were measured in vivo by their antagonism of 5-hydroxytryptophan-induced head twitches in the mouse and by their antagonism of hyperthermia induced by fenfluramine (N-ethyl-alpha-methyl-m-(trifluoromethyl)phenethylamine hydrochloride) in the rat. The structure-activity relationships in this series are discussed and the properties of 2-[[2-(dimethylamino)ethyl]thio]-3-phenylquinoline hydrochloride (70) are highlighted.

  DOI：

  10.1021/jm00395a013
• 作为产物：
  描述：

  异丙安替比林 以 水 为溶剂， 反应 96.0h， 以3.7%的产率得到2-Hydroxy-2-isopropyl-3-ketobuttersaeureanilid
  参考文献：
  名称：

  Reisch; Ekiz; Guneri, Pharmazie, 1986, vol. 41, # 4, p. 287 - 288

  摘要：

  DOI：

文献信息

• USE OF SUBSTITUTED ISOQUINOLINONES, ISOQUINOLINDIONES, ISOQUINOLINTRIONES AND DIHYDROISOQUINOLINONES OR IN EACH CASE SALTS THEREOF AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS
  申请人：Frackenpohl Jens

  公开号：US20140302987A1

  公开（公告）日：2014-10-09

  Use of substituted isoquinolinones, isoquinolinediones, isoquinolinetriones and dihydroisoquinolinones of the general formula (I) or their respective salts where the radicals in the general formula (I) correspond to the definitions given in the description, for enhancing stress tolerance in plants to abiotic stress, for strengthening plant growth and/or for increasing plant yield, and selected processes for preparing the compounds mentioned above.

  使用通式（I）中的替代的异喹啉酮、异喹啉二酮、异喹啉三酮和二氢异喹啉酮或它们的相应盐，其中通式（I）中的基团对应于描述中给出的定义，用于增强植物对非生物胁迫的耐受性，增强植物生长和/或增加植物产量，并选择性地制备上述化合物的过程。
• Quinoline derivatives which are 5-hydroxytryptamine antagonists
  申请人：Imperial Chemical Industries PLC

  公开号：US04607039A1

  公开（公告）日：1986-08-19

  Compounds of the formula: ##STR1## wherein A stands for the radical --(CH.sub.2).sub.2 -- which may optionally be substituted by one or two (1-2C)alkyl radicals; Q stands for an oxygen or sulphur atom; R.degree. stands for a (1-4C)alkyl, (1-4C)alkoxy or cyclopropyl radical; R.sup.1 stands for a defined (3-4C)alkyl radical, a phenyl radical which may optionally bear a defined substituent, or a defined heteroaryl radical of 5 or 6 ring atoms; and R.sup.2 and R.sup.3 stand for hydrogen or a (1-2C)alkyl radical; and pharmaceutically-acceptable acid-addition salts thereof. Processes for the manufacture of said compounds. Pharmaceutical compositions comprising one of said compounds and a pharmaceutical diluent or carrier. The compounds are 5-hydroxytryptamine antagonists.

  化合物的公式为：## STR1 ## 其中A代表基团 - (CH.sub.2) .sub.2-，可以选择性地被一个或两个（1-2C）烷基基团取代; Q代表氧或硫原子; R.degree.代表（1-4C）烷基，（1-4C）烷氧基或环丙基基团; R.sup.1代表一个定义的（3-4C）烷基基团，一个苯基基团，可以选择性地带有一个定义的取代基，或者一个由5个或6个环原子组成的定义的杂环基团; R.sup.2和R.sup.3代表氢或（1-2C）烷基基团;以及其药学上可接受的酸加合盐。制造该化合物的过程。包含其中一种化合物和药用稀释剂或载体的制药组合物。这些化合物是5-羟色胺拮抗剂。
• Quinoline derivatives
  申请人：IMPERIAL CHEMICAL INDUSTRIES PLC

  公开号：EP0093521A2

  公开（公告）日：1983-11-09

  Compounds of the formula:- wherein A stands for the radical -(CH2)2- which may optionally be substituted by one or two (1-2C)alkyl radicals; Q stands for an oxygen or sulphur atom; R° stands for a (1-4C)alkyl, (1-4C)alkoxy or cyclopropyl radical; R' stands for a defined (3-4C)alkyl radical, a phenyl radical which may optionally bear a defined substituent, or a defined heteroaryl radical of 5 to 6 ring atoms; and R2 and R3 stand for hydrogen or a (1-2C)alkyl radical; and pharmaceutically-acceptable acid-addition salts thereof. Processes for the manufacture of said compounds. Pharmaceutical compositions comprising one of said compounds and a pharmaceutical diluent or cerrier. The compounds are 5-hydroxytryptamine antagonists.

  式中化合物 其中 A 代表自由基-(CH2)2-，可任选被一个或两个(1-2C)烷基取代；Q 代表氧原子或硫原子；R° 代表(1-4C)烷基、(1-4C)烷氧基或环丙基；R'代表定义的(3-4C)烷基、可任选带有定义取代基的苯基或 5 至 6 个环原子的定义杂芳基；以及 R2 和 R3 代表氢或(1-2C)烷基；及其药学上可接受的酸加成盐。上述化合物的生产工艺。包含上述化合物之一和药用稀释剂或陶瓷载体的药用组合物。所述化合物是5-羟色胺拮抗剂。
• The Preparation and Cyclization of Substituted Acetoacetanilides
  作者：A. Langley Searles、Richard J. Kelly

  DOI：10.1021/ja01627a095

  日期：1955.11
• REISCH J.; EKIZ N.; GUENERI T., PHARMAZIE, 41,(1986) N 4, 287-288
  作者：REISCH J.、 EKIZ N.、 GUENERI T.

  DOI：——

  日期：——