1-(3-氯-4-苯基甲氧基苯基)乙酮 | 61560-88-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-(3-氯-4-苯基甲氧基苯基)乙酮
• 英文名称: 4'-benzyloxy-3'-chloroacetophenone
• 英文别名: 3-chloro-4-benzyloxyacetophenone；Ethanone, 1-[3-chloro-4-(phenylmethoxy)phenyl]-；1-(3-chloro-4-phenylmethoxyphenyl)ethanone
• CAS: 61560-88-1
• 化学式: C₁₅H₁₃ClO₂
• 分子量: 260.72
• InChiKey: KXVOLGVCOAVWMV-UHFFFAOYSA-N

物化性质

• 沸点：
  409.8±35.0 °C(Predicted)
• 密度：
  1.198±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(3-氯-4-苯基甲氧基苯基)乙酮 在 copper(ll) bromide 作用下， 以 氯仿 、 乙酸乙酯 为溶剂， 以33%的产率得到2-溴-1-(3-氯-4-苯基甲氧基苯基)乙酮
  参考文献：
  名称：

  Synthesis and structure-activity relationships among .alpha.-adrenergic receptor agonists of the phenylethanolamine type

  摘要：

  Nineteen arylethanolamine derivatives related to norepinephrine were prepared and tested for alpha-adrenergic stimulant activity. In one series the analogues possess a p-hydroxy function, while the meta position is substituted by methyl, ethyl, isopropyl, chlohexyl, fluoro, chloro, iodo, carboxy, carbomethoxy, and methylsulfamido groups. The other series is meta hydroxylated with the para position substituted by the same groups. The influence of these groups upon the alpha-adrenergic activity is discussed, and the compounds are compared to octopamine, normetanephrine, norepinephrine, and norphenylephrine. It has been found that the introduction of an isopropyl, cyclohexyl, and fluoro group in the meta position of octopamine improves its affinity by three, five, and six times, respectively, whereas when these groups are introduced in the para position of norphenylephrine their effects are always detrimental. The most active compound, alpha-(aminomethyl)(4-fluoro-3-hydroxyphenyl)methanol (44), has about one-hundredth the affinity and the same intrinsic activity as norepinephrine.

  DOI：

  10.1021/jm00181a008
• 作为产物：
  描述：

  3’-氯-4’-羟基苯乙酮 、 溴甲苯 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 生成 1-(3-氯-4-苯基甲氧基苯基)乙酮
  参考文献：
  名称：

  The identification, synthesis, protein crystal structure and in vitro biochemical evaluation of a new 3,4-diarylpyrazole class of Hsp90 inhibitors

  摘要：

  High-throughput screening identified the 3,4-diarylpyrazole CCT018159 as a novel and potent (7.1 mu M) inhibitor of Hsp90 ATPase activity. Here, we describe the synthesis of CCT018159 and a number of close analogues together with data on their biochemical properties. Some initial structure-activity relationships are discussed, as well as the crystal structure of CCT018159 bound to Hsp90. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.05.046

文献信息

• Syn-isomer of 3,7-disubstituted-3-cephem-4-carboxylic acid compounds and
  申请人：Fujisawa Pharmaceutical Co., Ltd.

  公开号：US04304770A1

  公开（公告）日：1981-12-08

  Preparation of pharmaceutical composition comprising, treatment of human and animal diseases with, and compound of, 3,7-disubstituted-3-cephem-4-carboxylic acid.

  含有3,7-二取代-3-头孢烯-4-羧酸的制药组合物的制备，以及用于治疗人类和动物疾病的化合物。
• Syn isomer of 7-[2-cyclo(lower) alkoxyimino-2-(2-amino-or substituted
  申请人：Fujisawa Pharmaceutical Co., Ltd.

  公开号：US04331664A1

  公开（公告）日：1982-05-25

  Syn isomers of 3-substituted 7-[2-substituted imino-2-substituted acetamido]-3-cephem-4-carboxylic acid and salt bacteriostatic-compounds and pharmaceutical compositions thereof and processes for preparing same.

  3-取代基7-[2-取代基亚胺基-2-取代基乙酰胺基]-3-头孢烯-4-羧酸的同分异构体及其盐、抑菌化合物和药物组合物以及其制备方法。
• Syn-isomers of
  申请人：Fujisawa Pharmaceutical Co., Ltd.

  公开号：US04279818A1

  公开（公告）日：1981-07-21

  New syn-isomers of 3-cephem-4-carboxylic acids having anti-bacterial activities, processes for preparation thereof, pharmaceutical compositions thereof, with the acids being substituted at the 3 position with acyloxymethyl, hydroxymethyl, formyl or heterocyclic thiomethyl groups and at the 7 position with alkoxyiminoacetamido substituted with substituted phenyl or substituted thiazolyl.

  具有抗菌活性的3-头孢菌素-4-羧酸的新同构体，其制备方法，药物组合物，其中酸在3位被醋氧甲基，羟甲基，甲酰基或杂环硫甲基基团取代，并且在7位被烷氧基亚胺基取代的取代苯基或取代噻唑基取代。
• Syn 7-oxoimino substituted derivatives of cephalosporanic acid
  申请人：Fujisawa Pharmaceutical Co., Ltd.

  公开号：US04166115A1

  公开（公告）日：1979-08-28

  The present invention relates to new syn-isomer of 3,7-disubstituted-3-cephem-4-carboxylic acid compounds and pharmaceutically acceptable salts thereof. More particularly, it relates to new syn-isomer of 3,7-disubstituted-3-cephem-4-carboxylic acid compounds and pharmaceutically acceptable salts thereof which have antibacterial activities and to processes for the preparation thereof, to pharmaceutical composition comprising the same, and to a method of using the same therapeutically in the treatment of infectious diseases in human beings and animals.

  本发明涉及3,7-二取代-3-头孢烯-4-羧酸化合物的新的同构体及其药用盐。更具体地说，涉及具有抗菌活性的新的3,7-二取代-3-头孢烯-4-羧酸化合物的同构体及其药用盐，以及其制备方法、包含其的药物组合物，以及在人类和动物的传染病治疗中治疗使用的方法。
• 7[(2-Hydroxyamino-2-disubstituted
  申请人：Fujisawa Pharmaceutical Co., Ltd.

  公开号：US04143166A1

  公开（公告）日：1979-03-06

  The new 7-(.alpha.,.alpha.-disubstituted-acetamido)-3-substituted-3-cephem-4-carbo xylic acid of the present invention is represented by the following formula: ##STR1## wherein R.sup.1 is hydrogen, halogen, hydroxy, nitro, lower alkoxy or acylamino, R.sup.2 is hydrogen or acyl and R.sup.3 is lower alkanoyloxy, carbamoyloxy which may have lower alkyl, aryl or protective group for amino, or a heterocyclicthio which may have lower alkyl, aryl or protective group for amino, or a hetero- which may have lower alkyl.

  本发明的新7-(.alpha.,.alpha.-二取代-乙酰胺基)-3-取代-3-头孢-4-羧酸的化学式如下所示：##STR1##其中R.sup.1为氢、卤素、羟基、硝基、低烷氧基或酰氨基，R.sup.2为氢或酰基，R.sup.3为低烷酰氧基、氨基甲酰氧基，可能具有低烷基、芳基或氨基的保护基，或可能具有低烷基、芳基或氨基的杂环硫基，或可能具有低烷基的杂环基。