1-(4-氯-3-甲基苯基)丙烷-1-酮 | 105321-54-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-(4-氯-3-甲基苯基)丙烷-1-酮
• 英文名称: 1-(4-chloro-3-methylphenyl)propan-1-one
• 英文别名: 3-methyl-4-chloropropiophenone
• CAS: 105321-54-8
• 化学式: C₁₀H₁₁ClO
• 分子量: 182.65
• InChiKey: GLACWDSQAVVCAU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2914700090

反应信息

• 作为反应物：
  描述：

  1-(4-氯-3-甲基苯基)丙烷-1-酮 在 盐酸 、 亚硝酸丁酯 作用下， 以 甲醇 为溶剂， 反应 14.0h， 生成
  参考文献：
  名称：

  烷基芳族 1,2-羟基氨基肟的 Z 异构体与 1,2-二酮的反应

  摘要：

  在伯或仲碳原子上含有羟基氨基的烷基芳族 1,2-羟基氨基肟的 Z 异构体与双乙酰反应得到 6-乙酰-5,6-二氢-4H-1,2,5-恶二嗪。这些化合物与烷基芳族 1,2-二酮的反应产生 N-取代的 α-芳酰基硝酮或 6-芳酰基-5,6-二氢-4H-1,2,5-恶二嗪或它们的互变异构混合物。

  DOI：

  10.1007/s11172-006-0374-0
• 作为产物：
  描述：

  N,N-二甲基甲酰胺 、 4-氯-3-甲基苯乙酮 在 ammonium peroxydisulfate 、 dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer 作用下， 以 水 为溶剂， 反应 3.0h， 以63%的产率得到1-(4-氯-3-甲基苯基)丙烷-1-酮
  参考文献：
  名称：

  DMF as Carbon Source: Rh-Catalyzed α-Methylation of Ketones

  摘要：

  An unprecedented Rh-catalyzed direct methylation of ketones with N,N'-dimethylformamide (DMF) is disclosed. The reaction shows a broad substrate scope, tolerating both aryl and alkyl ketones with various substituents. Mechanistic studies suggest that DMF delivers a methylene fragment followed by a hydride in the methylation process.

  DOI：

  10.1021/ol403040g

文献信息

• Biaryl Benzylamine Derivatives
  申请人：Angst Daniela

  公开号：US20100168079A1

  公开（公告）日：2010-07-01

  The present invention relates to biaryl-benzylamine compounds, to processes for their production, to their use as pharmaceuticals and to pharmaceutical compositions comprising them.

  本发明涉及双芳基-苄基胺化合物，其生产方法，作为药物的应用，以及包含它们的药物组合物。
• [EN] N2-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS<br/>[FR] INHIBITEURS DE N2-PYRAZOLOSPIROCÉTONE ACÉTYL-COA CARBOXYLASE
  申请人：PFIZER

  公开号：WO2011058473A1

  公开（公告）日：2011-05-19

  The invention provides a compound of Formula (I) or a pharmaceutically acceptable salt of said compound, wherein R1, R2, R3 and R4 are as described herein; pharmaceutical compositions thereof; and the use thereof in treating diseases, conditions or disorders modulated by the inhibition of an acetyl- CoA carboxylase enzyme(s) in an animal.

  该发明提供了化合物(I)的结构或该化合物的药用盐，其中R1、R2、R3和R4如本文所述；以及其药物组合物；以及在治疗受乙酰辅酶A羧化酶抑制调节的动物疾病、症状或紊乱中的应用。
• Triazine derivatives, a process for preparing the derivatives, and
  申请人：Idemitsu Kosan Company Limited

  公开号：US04680054A1

  公开（公告）日：1987-07-14

  A triazine derivative represented by the general formula: ##STR1## wherein R.sup.1 and R.sup.2 are each an alkyl group having 1 to 4 carbon atoms, and X.sup.1 and X.sup.2 are each a halogen atom, an alkyl group having 1 to 4 carbon atoms, an alkoxyl group having 1 to 4 carbon atoms, or an alkylthio group having 1 to 4 carbon atoms. This invention also provides a process for efficiently preparing said triazine derivative and a herbicide containing said triazine derivative as effective component.

  一种由以下通式表示的三嗪衍生物：##STR1## 其中R.sup.1和R.sup.2分别是具有1到4个碳原子的烷基基团，X.sup.1和X.sup.2分别是卤素原子、具有1到4个碳原子的烷基基团、具有1到4个碳原子的烷氧基基团或具有1到4个碳原子的烷基硫基团。本发明还提供了一种有效制备所述三嗪衍生物的方法和含有所述三嗪衍生物作为有效成分的除草剂。
• Dihydroimidazothiazole Derivatives
  申请人：Barba Oscar

  公开号：US20090221645A1

  公开（公告）日：2009-09-03

  Compounds of formula (I) or pharmaceutically acceptable salts thereof, exhibit 5-HT 1A agonism in addition to noradrenaline reuptake inhibition and optionally also 5-HT reuptake inhibition are useful for the treatment of obesity.

  式(I)的化合物或其药学上可接受的盐，除了去甲肾上腺素再摄取抑制外，还表现出5-HT1A受体激动作用，可选地还具有5-HT再摄取抑制作用，适用于肥胖症的治疗。
• 3-pyrazolecarboxamide derivatives having cannabinoid receptor affinity
  申请人：Sanofi

  公开号：US05925768A1

  公开（公告）日：1999-07-20

  The present invention relates to compounds of the formula ##STR1## in which: X.sub.1 is a group --NR.sub.1 R.sub.2 or a group --OR.sub.2 ; g.sub.2, g.sub.3, g.sub.4, g.sub.5, g.sub.6 and w.sub.2, w.sub.3, w.sub.4, w.sub.5, w.sub.6 are identical or different and are each independently hydrogen, a halogen atom, a (C.sub.1 -C.sub.4)alkyl, a (C.sub.1 -C.sub.4)alkoxy, a trifluoromethyl, a nitro or a (C.sub.1 -C.sub.4)alkylthio, with the proviso that at least one of the substituents g.sub.2, g.sub.3, g.sub.4, g.sub.5, g.sub.6 and at least one of the substituents w.sub.2, w.sub.3, w.sub.4, w.sub.5, w.sub.6 are other than hydrogen; R.sub.1 is hydrogen or a (C.sub.1 -C.sub.4)alkyl; R.sub.2 is a non-aromatic (C.sub.3 -C.sub.15)carbocyclic radical which is unsubstituted or monosubstituted or polysubstituted by a substituent selected from a halogen atom, a (C.sub.1 -C.sub.4)alkyl and a (C.sub.1 -C.sub.4)alkoxy; R.sub.3 is hydrogen or a group --CH.sub.2 R.sub.6 ; and R.sub.4 and R.sub.5 are each independently a hydrogen, a (C.sub.1 -C.sub.4)alkyl or a trifluoromethyl; or else R.sub.4 is hydrogen and R.sub.5 and w.sub.6 together constitute an ethylene or trimethylene radical; and R.sub.6 is hydrogen, a (C.sub.1 -C.sub.4)alkyl, a fluorine, a hydroxyl, a (C.sub.1 -C.sub.5)alkoxy, a (C.sub.1 -C.sub.5)alkylthio, a hydroxy(C.sub.1 -C.sub.5)alkoxy, a cyano, a (C.sub.1 -C.sub.5)alkylsulfinyl or a (C.sub.1 -C.sub.5)alkylsulfonyl with the proviso that when the substituents g.sub.2, g.sub.3, g.sub.4, g.sub.5 and/or g.sub.6 are a (C.sub.1 -C.sub.4)alkyl R.sub.6 is only hydrogen; to a process for their preparation and to the pharmaceutical compositions in which they are present. These compounds have a good affinity for the peripheral cannabinoid receptors.

  本发明涉及以下公式的化合物：##STR1## 其中：X.sub.1是一个基团--NR.sub.1 R.sub.2或一个基团--OR.sub.2；g.sub.2，g.sub.3，g.sub.4，g.sub.5，g.sub.6和w.sub.2，w.sub.3，w.sub.4，w.sub.5，w.sub.6相同或不同，每个独立地为氢、卤素原子、(C.sub.1-C.sub.4)烷基、(C.sub.1-C.sub.4)烷氧基、三氟甲基、硝基或(C.sub.1-C.sub.4)烷基硫醇，但要求至少有一个取代基g.sub.2，g.sub.3，g.sub.4，g.sub.5，g.sub.6和至少有一个取代基w.sub.2，w.sub.3，w.sub.4，w.sub.5，w.sub.6不是氢；R.sub.1是氢或(C.sub.1-C.sub.4)烷基；R.sub.2是非芳香性(C.sub.3-C.sub.15)碳环基，未取代或单取代或多取代，所述取代基选自卤素原子、(C.sub.1-C.sub.4)烷基和(C.sub.1-C.sub.4)烷氧基；R.sub.3是氢或基团--CH.sub.2 R.sub.6；R.sub.4和R.sub.5各自独立地为氢、(C.sub.1-C.sub.4)烷基或三氟甲基；否则，R.sub.4是氢，而R.sub.5和w.sub.6共同构成乙烯或三亚甲基基团；R.sub.6是氢、(C.sub.1-C.sub.4)烷基、氟、羟基、(C.sub.1-C.sub.5)烷氧基、(C.sub.1-C.sub.5)烷硫基、羟基(C.sub.1-C.sub.5)烷氧基、氰基、(C.sub.1-C.sub.5)烷基亚砜或(C.sub.1-C.sub.5)烷基磺酰基，但要求当取代基g.sub.2，g.sub.3，g.sub.4，g.sub.5和/或g.sub.6为(C.sub.1-C.sub.4)烷基时，R.sub.6仅为氢；以及制备它们的过程和它们存在的药物组合物。这些化合物具有与周围的大麻素受体良好的亲和力。