3-Methyl-1-(4-nitro-phenyl)-butan-2-one | 105590-44-1

• 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: 3-Methyl-1-(4-nitro-phenyl)-butan-2-one
• 英文别名: 3-Methyl-1-(4-nitrophenyl)butan-2-one
• CAS: 105590-44-1
• 化学式: C₁₁H₁₃NO₃
• 分子量: 207.229
• InChiKey: HVEJOVAHRHHWET-UHFFFAOYSA-N

物化性质

• 沸点：
  327.1±17.0 °C(Predicted)
• 密度：
  1.144±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  62.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-Methyl-1-(4-nitro-phenyl)-butan-2-one 、 联苯甲酰 在 ammonium acetate 、 碘 、 氧气 作用下， 以 1,4-二氧六环 为溶剂， 200.0 ℃ 、101.33 kPa 条件下， 反应 24.0h， 以8%的产率得到
  参考文献：
  名称：

  2，4，5-三取代噁唑及其合成方法

  摘要：

  本申请涉及一种2，4，5‑三取代噁唑类化合物及其合成方法，采用非金属碘单质作为催化剂，用空气或氧气作为氧化剂，用吡啶、喹啉、三乙胺、NMP、DMA、DMSO、1，4‑二氧六环、甲苯等作有机溶剂，将α，β‑二酮类化合物、酮和铵盐转化为2，4，5‑三取代噁唑及其衍生物的技术方案。它克服了现有2，4，5‑三取代噁唑类化合物合成方法存在合成步骤复杂，需要采取多步合成工艺才能完成，还需要使用金属催化剂、化学当量的氧化剂等困难。它适合作多种功能材料；特别适用于制备抗糖尿病药AD‑5061的重要原料。

  公开号：

  CN109705051B
• 作为产物：
  描述：

  3-甲基-2-丁酮 、 对硝基苯甲醛 在 potassium tert-butylate 作用下， 以 氨 为溶剂， 以68%的产率得到3-Methyl-1-(4-nitro-phenyl)-butan-2-one
  参考文献：
  名称：

  对硝基苯甲醛中甲酰基的新型亲核取代物与一些碳负离子

  摘要：

  对硝基苯甲醛在强碱存在下在低温下与一些活性亚甲基化合物反应，通过两步过程得到对取代硝基苯，包括初始形成羟醛加合物和随后用过量碳负离子置换甲醇部分.

  DOI：

  10.1246/cl.1986.173

文献信息

• IWASAKI, GENJI;SAEKI, SEITARO;HAMANA, MASATOMO, CHEM. LETT., 1986, N 2, 173-176
  作者：IWASAKI, GENJI、SAEKI, SEITARO、HAMANA, MASATOMO

  DOI：——

  日期：——
• METHODS OF CHEMOSELECTIVE DERIVATION OF MULTIPLE CLASSES OF METABOLITES
  申请人：Sello Jason K.

  公开号：US20130071940A1

  公开（公告）日：2013-03-21

  Chemoselective derivatization of biological amines, carboxylic acids, aldehydes or ketones are employed in methods to detect a plurality of components, or members of a component, such as metabolites, that vary in molecular structure. The methods of the invention can be employed in aqueous and nonaqueous conditions.
• OLIGOMERIC AND POLYMERIC ELECTRONICALLY-MODIFIED BORONIC ACIDS AND METHODS OF USING THE SAME
  申请人：Halliburton Energy Services, Inc.

  公开号：US20140174748A1

  公开（公告）日：2014-06-26

  Crosslinked gelling agents employed during subterranean operations use electronically-modified boronic acids to enable higher operating temperatures while allowing reduced gelling agent loadings; the boronic acids having Formula I: X 1 and X 2 are independently selected from O, CH 2 , CH 2 O, OCH 2 , bond, and null, Y 1 and Y 2 are independently N or C, Ar is a 5- or 6-membered ring aryl or heteroaryl group with a link L to monomer unit M 1 , m is 1 or 2, n is 0, 1, 2, or 3, and each Z is independently an electron withdrawing group selected from nitro, ester, carboxylic acids, carboxylates, halogen, cyano, amide, acyl, alkylsulfonyl, arylsulfonyl, heteroarylsulfonyl, CF 3 , a quaternary ammonium salt, polyhaloalkyl, and carbamate, with the proviso that when n is 0, the link L between M 1 and Ar includes an electron withdrawing group attached to Ar, and introducing the treatment fluids into subterranean formations.
• Oligomeric and Polymeric Electronically-Modified Boronic Acids and Methods of Using the Same
  申请人：HALLIBURTON ENERGY SERVICES, INC.

  公开号：US20140110120A1

  公开（公告）日：2014-04-24

  Crosslinked gelling agents employed during subterranean operations use electronically-modified boronic acids to enable higher operating temperatures while allowing reduced gelling agent loadings; the boronic acids having Formula I: X 1 and X 2 are independently selected from O, CH 2 , CH 2 O, OCH 2 , bond, and null, Y 1 and Y 2 are independently N or C, Ar is a 5- or 6-membered ring aryl or heteroaryl group with a link L to monomer unit M 1 , m is 1 or 2, n is 0, 1, 2, or 3, and each Z is independently an electron withdrawing group selected from nitro, ester, carboxylic acids, carboxylates, halogen, cyano, amide, acyl, alkylsulfonyl, arylsulfonyl, heteroarylsulfonyl, CF 3 , a quaternary ammonium salt, polyhaloalkyl, and carbamate, with the proviso that when n is 0, the link L between M 1 and Ar includes an electron withdrawing group attached to Ar, and introducing the treatment fluids into subterranean formations.
• NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT
  申请人：SNU R&DB FOUNDATION

  公开号：US20160340331A1

  公开（公告）日：2016-11-24

  A compound inhibiting Hsp90 and a pharmaceutical composition including the same as an active ingredient are described, which compound is represented by formula 2 and suppresses the expression of Hsp90, inhibits the accumulation of HIF-1α, the Hsp90 client protein, and efficiently inhibits the activation of VEGF. The compound displays low cytotoxicity and can be effectively used as an active ingredient of an anti-cancer agent, a diabetic retinopathy treating agent, and an anti-arthritic agent.