1-(4-(4-溴丁基)苯基)乙酮 | 41996-98-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-(4-(4-溴丁基)苯基)乙酮
• 英文名称: 1-(4-(4-bromobutyl)phenyl)ethanone
• 英文别名: 4-(4-acetylphenyl)butyl bromide；4-(4-bromobutyl)acetophenone；p-(4-Brom-butyl)-acetophenon；p-(4-Brombutyl)-acetophenon；1-[4-(4-Bromobutyl)phenyl]ethanone
• CAS: 41996-98-9
• 化学式: C₁₂H₁₅BrO
• 分子量: 255.155
• InChiKey: AJCCNDBVTPJFRV-UHFFFAOYSA-N

物化性质

• 沸点：
  350.1±35.0 °C(Predicted)
• 密度：
  1.275±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-(4-(4-溴丁基)苯基)乙酮 在 盐酸 、 sodium hydroxide 、 溴 、 sodium iodide 作用下， 生成 Methyl-p-<4-(N.N-dimethylamino)-butyl>-benzoat
  参考文献：
  名称：

  Backbonding and polar effects in aminoalkylbenzene derivatives

  摘要：

  DOI：

  10.1021/jo00838a019
• 作为产物：
  描述：

  4-苯基丁醇 在 三氯化铝 、 三溴化磷 作用下， 生成 1-(4-(4-溴丁基)苯基)乙酮
  参考文献：
  名称：

  Backbonding and polar effects in aminoalkylbenzene derivatives

  摘要：

  DOI：

  10.1021/jo00838a019

文献信息

• OXIMES: I. THE SYNTHESIS OF SOME SUBSTITUTED 2-OXIMINOACETOPHENONES
  作者：J. J. Norman、R. M. Heggie、J. B. Larose

  DOI：10.1139/v62-233

  日期：1962.8.1

  The preparation of some p-(ω′-dimethylaminoalkyl)- and p-(ω′-dimethylaminoalkoxy)-2-oximinoacetophenones and their methiodides is described.No general method was found for synthesis of short-chain (C₀, C₁, C₂) p-(ω′-dimethylaminoalkyl)-2-oximinoacetophenones. The longer-chain compounds (C₃, C₄) were prepared by a method which would appear to be general. ω-Phenyl-1-haloalkanes undergo Friedel–Crafts acylation to yield p-(ω′-haloalkyl)-acetophenones. These were converted to the dimethylamino compounds, which, subsequently, yielded 2-oximinoacetophenones. No method of preparation of p-(2′-dimethylaminoethyl)-2-oximinoacetophenone was found.Synthesis of p-(ω′-dimethylaminoalkoxy)-2-oximinoacetophenones was accomplished using mixed α,ω-dihaloalkanes and p-hydroxyacetophenone. The p-(ω′-haloalkoxy)-acetophenones from these reactants were first converted to oximes and then to the dimethylamino compounds. Syntheses of p-(ω′-dimethylamino-ethoxy, -propoxy, -butoxy, and -pentoxy)-2-oximinoacetophenones were achieved. That of p-(dimethylaminomethoxy)-2-oximinoacetophenone was unsuccessful.

  一些p-(ω′-二甲氨基烷基)-和p-(ω′-二甲氨氧基)-2-氧代肟苯酮及其碘化物的制备已被描述。没有找到合成短链(C₀, C₁, C₂) p-(ω′-二甲氨基烷基)-2-氧代肟苯酮的通用方法。较长链化合物(C₃, C₄)是通过一种看似通用的方法制备的。 ω-苯基-1-卤代烷烃经过弗里德尔-克拉夫斯酰化反应生成p-(ω′-卤代烷基)-苯乙酮。这些化合物被转化为二甲氨基化合物，随后生成2-氧代肟苯酮。没有找到制备p-(2′-二甲氨基乙基)-2-氧代肟苯酮的方法。使用混合的α,ω-二卤代烷烃和p-羟基苯乙酮完成了p-(ω′-卤代氧基)-苯乙酮的合成。从这些反应物中首先将p-(ω′-卤代氧基)-苯乙酮转化为肟，然后转化为二甲氨基化合物。成功合成了p-(ω′-二甲氨氧乙氧基、-丙氧基、-丁氧基和-戊氧基)-2-氧代肟苯酮。p-(二甲氨基甲氧基)-2-氧代肟苯酮的合成未成功。
• Interphenylene 9-thia-11-oxo-12-aza-prostanoic acids
  申请人：Merck & Co., Inc.

  公开号：US04225609A1

  公开（公告）日：1980-09-30

  This invention relates to novel interphenylene 9-thia-11-oxo-12-azaprostanoic acid compounds, salts, and derivatives thereof. These compounds are exceptionally potent renal vasodilators and antihypertensives which are active when administered orally but which have a more specific type of biological activity than that of many of the natural prostaglandins and their synthetic analogs or derivatives.

  这项发明涉及新型的间苯二酚9-硫-11-酮-12-氮代前列腺酸化合物、盐和衍生物。这些化合物在口服后表现出异常强大的肾脏扩血管作用和降压作用，但其生物活性比许多天然前列腺素及其合成类似物或衍生物具有更特定的类型。
• Optically active ester derivatives, preparation process thereof, liquid crystal materials and a light switching element
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：EP0357372A2

  公开（公告）日：1990-03-07

  Disclosed are herein optically active ester derivatives represented by the formula (I): (wherein R1 represents an alkyl group having 3 to 20 carbon atoms; R2 represents an optically active alkyl or alkoxyalkyl group having 3 to 15 carbon atoms optionally substituted by halogen atoms; Y represents -O-, -COO- or -OCO-; X represents -COO- or -OCO-; represents a number of 1 or 2; k and m each represents a number of 0 or 1; n represents a numberof 1 to 6), preparation processes therefor, liquid crystal materials containing such easter derivatives as active ingredient, and a light switching element using said liquid crystal materials as liquid crystal element.

  本文公开了由式(I)代表的光学活性酯衍生物： (其中 R1 代表具有 3 至 20 个碳原子的烷基；R2 代表具有 3 至 15 个碳原子的光学活性烷基或烷氧基烷基，可选择被卤素原子取代；Y 代表 -O-、-COO- 或 -OCO-；X 代表 -COO- 或 -OCO-；代表 1 或 2 的数字；k 和 m 分别代表 0 或 1 的数字；n 代表 1 至 6 的数字）、其制备工艺、含有此类酯衍生物作为活性成分的液晶材料，以及使用上述液晶材料作为液晶元件的光开关元件。
• Pharmacophore and structure–activity relationships of integrase inhibition within a dual inhibitor scaffold of HIV reverse transcriptase and integrase
  作者：Zhengqiang Wang、Jing Tang、Christine E. Salomon、Christine D. Dreis、Robert Vince

  DOI：10.1016/j.bmc.2010.05.004

  日期：2010.6.15

  Rational design of dually active inhibitors against human immunodeficiency virus (HIV) reverse transcriptase (RT) and integrase (IN) has proved viable with 1-[(2-hydroxyethoxy) methyl]-6-(phenylthio) thymine (HEPT) type of non-nucleoside RT inhibitors (NNRTIs). To establish the pharmacophore and study the structure-activity relationships (SAR) of integrase inhibition within a previously disclosed RT/IN dual inhibitor scaffold, new analogues featuring substitution at different sites of the HEPT ring were designed and synthesized. These studies have revealed an IN inhibition pharmacophore that is merged with the known RT pharmacophore through a shared C-6 benzyl group. Further SAR also demonstrated that optimal IN inhibition within our dual inhibitor scaffold requires a regiospecific (N-1) diketoacid (DKA)-carrying pendant with a certain length. (C) 2010 Elsevier Ltd. All rights reserved.
• US4260771A
  申请人：——

  公开号：US4260771A

  公开（公告）日：1981-04-07