3,5-三氟甲基苯甲酰基乙腈 | 267880-81-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 3,5-三氟甲基苯甲酰基乙腈
• 英文名称: 3-(3,5-bis(trifluoromethyl)phenyl)-3-oxopropanenitrile
• 英文别名: 3,5-bis(trifluoromethyl)benzoyl acetonitrile；3,5-Bis(Trifluoromethyl)Benzoylacetonitrile；3-[3,5-bis(trifluoromethyl)phenyl]-3-oxopropanenitrile
• CAS: 267880-81-9
• 化学式: C₁₁H₅F₆NO
• 分子量: 281.157
• InChiKey: GFZFAQOKWZGMQL-UHFFFAOYSA-N

物化性质

• 熔点：
  67-70 °C
• 沸点：
  249.3±40.0 °C(Predicted)
• 密度：
  1.420±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  40.9
• 氢给体数：
  0
• 氢受体数：
  8

安全信息

• 海关编码：
  2926909090

反应信息

• 作为反应物：
  描述：

  3,5-三氟甲基苯甲酰基乙腈 在 硫酸 、 sulfur 作用下， 生成 5-amino-3-(3,5-bis(trifluoromethyl)phenyl)thiophene-2,4-dicarboxamide
  参考文献：
  名称：

  Aminothiophenedicarboxamides and dicyanothiopheneacetamides as effective synthetic molluscicides against Indoplanorbis exustus snail

  摘要：

  New thiophenedicarboxamide 2a-c and dicyanothiopheneacetamide 3a-c derivatives were synthesized and their bioactivity against Indoplanorbis exustus snails was evaluated. The I. exustus snail is a serious host of parasite of genus Schistosoma which infects cattle. Thus reduces livestock productivity and also acts as a source of cercarial dermatitis in human beings. The results obtained show a significant (P < 0.05) molluscicidal activity with LC50 = 0.6043 ppm for compound 2a and LC50 = 0.6511 ppm for compound 3a. (C) 2011 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2011.06.001
• 作为产物：
  描述：

  sodium cyanide 、 尼麦角林杂质D 以 水 、 N,N-二甲基甲酰胺 为溶剂， 以76%的产率得到3,5-三氟甲基苯甲酰基乙腈
  参考文献：
  名称：

  Patil, Shivaraj P.; Kanawade, Shrikant B.; Shinde, Madhukar P., Indian Journal of Heterocyclic Chemistry, 2011, vol. 21, # 1, p. 33 - 36

  摘要：

  DOI：

文献信息

• Synthesis of benzo[3,4-h][1,6]naphthyridines via Friedländer condensation with active methylenes
  作者：Ramhari V. Rote、Sandeep M. Bagul、Deepak P. Shelar、Sandeep R. Patil、Raghunath B. Toche、Madhukar N. Jachak

  DOI：10.1002/jhet.391

  日期：2011.3

  Novel 4‐amino‐6‐chloroquinoline‐3‐carbaldehyde has been synthesized by synchronous reduction by lithium aluminiumhydride and finally oxidation with MnO2. Friedländer condensation of it with reactive methylenes furnished novel benzo[3,4‐h][1,6]naphthyridine derivatives. J. Heterocyclic Chem., (2011).

  通过氢化铝锂同步还原，最后用MnO 2氧化，合成了新型的4-氨基-6-氯喹啉-3-甲醛。弗里德兰德与反应性亚甲基的缩合反应提供了新颖的苯并[3,4- [ h ] [1,6]萘啶衍生物。J.杂环化​​学。（2011）。
• Novel synthesis of 2-aminoquinoline-3-carbaldehyde, benzo[<i>b</i> ][1,8]naphthyridines and study of their fluorescence behavior
  作者：Deepak P. Shelar、Dilip R. Birari、Ramhari V. Rote、Sandeep R. Patil、Raghunath B. Toche、Madhukar N. Jachak

  DOI：10.1002/poc.1727

  日期：2011.3

  A novel route was successfully developed for the synthesis of new synthons, orthoamino formyl quinoline (heterocyclic orthoaminoaldehyde) and utilized for the synthesis of series of benzonaphthyridines by Friedländer condensation reactions with benzoylacetonitrile. The benzonaphthyridines synthesized were further studied for their fluorescence properties. Copyright © 2010 John Wiley & Sons, Ltd.

  已成功开发了一条新路线，用于合成新的合成子，原氨基甲酰基喹啉（杂环原氨基醛），并用于与苯甲酰基乙腈的弗里德兰德缩合反应用于合成一系列苯并萘啶。进一步研究了合成的苯并萘啶的荧光性质。版权所有©2010 John Wiley＆Sons，Ltd.
• Synthesis of pyrazolopyridine 3-carboxylates by Friedlander condensation
  作者：Raghunath B. Toche、Dinesh C. Bhavsar、Muddassar A. Kazi、Sandeep M. Bagul、Madhukar N. Jachak

  DOI：10.1002/jhet.294

  日期：——

  6‐trisubstituted and 1,3,5,6‐tetrasubstituted pyrazolo [3,4‐b] pyridines 5 have been synthesized by series of reactions on 1‐phenyl‐3‐carboxylate pyrazolone to obtain o‐aminoaldehyde, which undergo facile condensation with various α‐methylene ketones, nitriles, and esters, furnish fused pyridine derivative in good yield. J. Heterocyclic Chem., (2010).

  一系列1,3,6-三取代和1,3,5,6四取代吡唑并[3,4的b ]吡啶化合物5合成了通过一系列反应对1-苯基-3-吡唑啉酮羧酸以获得ö -氨基醛容易与各种α-亚甲基酮，腈和酯缩合，因此可以提供高收率的熔融吡啶衍生物。J.杂环化​​学。（2010）。
• Cholesteryl Ester Transfer Protein Inhibitors
  申请人：Ali Amjad

  公开号：US20090018054A1

  公开（公告）日：2009-01-15

  Compounds of Formula (I), including pharmaceutically acceptable salts of the compounds, are CETP inhibitors, and are useful for raising HDL-cholesterol, reducing LDL-cholesterol, and for treating or preventing atherosclerosis. In the compounds of Formula (I), A 1 is a cyclic group, and B is a cyclic group which is attached to the heterocyclic ring directly or through a methylene group.

  公式（I）的化合物，包括其药学上可接受的盐，是CETP抑制剂，可用于提高高密度脂蛋白胆固醇，降低低密度脂蛋白胆固醇，并用于治疗或预防动脉硬化。在公式（I）的化合物中，A1是一个环状基团，B是一个环状基团，直接或通过亚甲基基团连接到杂环环上。
• Cholesteryl ester transfer protein inhibitors
  申请人：Ali Amjad

  公开号：US08865707B2

  公开（公告）日：2014-10-21

  Compounds of Formula (I), including pharmaceutically acceptable salts of the compounds, are CETP inhibitors, and are useful for raising HDL-cholesterol, reducing LDL-cholesterol, and for treating or preventing atherosclerosis. In the compounds of Formula (I), A1 is a cyclic group, and B is a cyclic group which is attached to the heterocyclic ring directly or through a methylene group.

  公式（I）的化合物，包括该化合物的药物可接受的盐，是CETP抑制剂，可用于提高高密度脂蛋白胆固醇，降低低密度脂蛋白胆固醇，以及治疗或预防动脉粥样硬化。在公式（I）的化合物中，A1是一个环状基团，B是一个环状基团，直接或通过亚甲基基团连接到杂环环上。