1-[3-(trifluoromethoxy)phenyl]propan-2-one

• 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: 1-[3-(trifluoromethoxy)phenyl]propan-2-one
• 英文别名: 1-(3'-trifluoromethoxy-phenyl)-2-propanone
• 化学式: C₁₀H₉F₃O₂
• 分子量: 218.175
• InChiKey: GQNTVCOMVPOVQE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-[3-(trifluoromethoxy)phenyl]propan-2-one 在 selenium(IV) oxide 作用下， 以 1,4-二氧六环 为溶剂， 以51.7%的产率得到1-[3-(trifluoromethoxy)phenyl]propan-1,2-dione
  参考文献：
  名称：

  COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR

  摘要：

  本文描述了对c-kit蛋白激酶或具有任何突变的突变c-kit蛋白激酶具有活性的化合物，以及制备和使用这些化合物来治疗与c-kit蛋白激酶和/或突变c-kit蛋白激酶的异常活性相关的疾病和病况的方法。

  公开号：

  US20150284397A1
• 作为产物：
  描述：

  1-(3'-trifluoromethoxy-phenyl)-2-nitro-1-propene 、 铁粉 在 盐酸 、 三氯化铁 作用下， 以 乙醚 、 水 为溶剂， 以55%的产率得到1-[3-(trifluoromethoxy)phenyl]propan-2-one
  参考文献：
  名称：

  Phenylethylamine derivatives

  摘要：

  三氟甲基硫代苯乙胺衍生物，通过将相应的酸氯化物经过连续还原、与硝基乙烷缩合、还原和与胺缩合制备而成，具有抑制食欲的特性，不伴有中枢兴奋活性或心血管效应。

  公开号：

  US04129598A1

文献信息

• CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS
  申请人：Obrecht Daniel

  公开号：US20120270881A1

  公开（公告）日：2012-10-25

  Conformationally restricted, spatially defined 12-30 membered macrocyclic ring systems of formulae Ia and Ib are constituted by three distinct molecular parts: Template A, conformation Modulator B and Bridge C. These macrocycles Ia and Ib are readily manufactured by parallel synthesis or combinatorial chemistry in solution or on solid phase. They are designed to interact with a variety of specific biological target classes, examples being the agonistic or antagonistic activity on G-protein coupled receptors (GPCRs), ion channels and signal transduction pathways. In particular, these macrocycles act as antagonists of the motilin receptor, the FP receptor and the purinergic receptors P2Y 1 , as modulators of the serotonin receptor of subtype 5-HT 2B , as blockers of the voltage-gated potassium channel K v 1.3 and as inhibitors of the β-catenin-dependent “canonical” Wnt pathway. Thus they are showing great potential as medicaments for a variety of diseases.

  具有结构限制的、空间定义的12-30环的大环系统Ia和Ib由三个不同的分子部分构成：模板A、构象调节剂B和桥C。这些大环Ia和Ib可以通过并行合成或溶液中或固相上的组合化学来轻松制备。它们被设计用于与各种特定的生物靶标类相互作用，例如对G蛋白偶联受体（GPCRs）、离子通道和信号转导途径的激动或拮抗活性。特别地，这些大环作为莫蒂林受体的拮抗剂、FP受体和嘌呤受体P2Y1的调节剂、5-HT2B亚型的5-羟色胺受体的调节剂、电压门控钾通道Kv1.3的阻断剂以及β-连环蛋白依赖的“经典”Wnt途径的抑制剂。因此，它们显示出作为各种疾病药物的巨大潜力。
• Phenyl propanones
  申请人：Synthelabo

  公开号：US03965190A1

  公开（公告）日：1976-06-22

  Trifluoromethylthiophenylethylamine derivatives, made from the corresponding acid chlorides by successive reduction, condensation with nitroethane, reduction, and condensation with an amide, possess anorexigenic properties, unaccompanied by central stimulant activity or cardiovascular effects.

  三氟甲基硫代苯乙胺衍生物，通过将相应的酸氯化物经过连续还原、与硝基乙烷缩合、还原和与酰胺缩合制备而成，具有压食性能，不伴随中枢兴奋活性或心血管效应。
• Process for Preparing Substituted Aryl Cycloalkanol Derivatives
  申请人：Gontcharov V. Alexander

  公开号：US20070129377A1

  公开（公告）日：2007-06-07

  Processes are disclosed for preparing substituted aryl cycloalkanol derivatives, particularly chiral substituted aryl cycloalkanol derivatives of the general formula:

  披露了制备取代芳基环烷醇衍生物的过程，特别是一般式如下的手性取代芳基环烷醇衍生物的过程：
• 1-(3'-Trifluoromethylthiophenyl)-2-ethylaminopropane pharmaceutical
  申请人：Synthelabo

  公开号：US04148923A1

  公开（公告）日：1979-04-10

  Trifluoromethylthiophenylethylamine derivatives, made from the corresponding acid chlorides by successive reduction, condensation with nitroethane, reduction, and condensation with an amine, possess anorexigenic properties, unaccompanied by central stimulant activity or cardiovascular effects.

  由相应酸氯化物经过连续还原、与硝基乙烷缩合、还原和胺缩合制得的三氟甲基硫代苯乙胺衍生物具有压食特性，且不伴随中枢兴奋活性或心血管效应。
• 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.