2'-戊氧基苯乙酮 | 7191-39-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2'-戊氧基苯乙酮
• 英文名称: 1-(2-pentyloxy-phenyl)-ethanone
• 英文别名: 2'-Pentyloxyacetophenone；1-(2-pentoxyphenyl)ethanone
• CAS: 7191-39-1
• 化学式: C₁₃H₁₈O₂
• 分子量: 206.285
• InChiKey: DHDSALKEOLDSSE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  15
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 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：

  2'-戊氧基苯乙酮 在 盐酸羟胺 、 sodium ethanolate 、 1-羟基苯并三唑 、 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 N,N-二异丙基乙胺 、 sodium hydroxide 作用下， 以 乙醇 、 氯仿 为溶剂， 反应 52.75h， 生成 N-phenyl-5-(2-pentyloxyphenyl)isoxazole-3-carboxamide
  参考文献：
  名称：

  3-Carboxamido-5-aryl-isoxazoles as new CB2 agonists for the treatment of colitis

  摘要：

  Recent investigations showed that anandamide, the main endogenous ligand of CB1 and CB2 cannabinoid receptors, possesses analgesic, antidepressant and anti-inflammatory effects. In the perspective to treat inflammatory bowel disease (IBD), our approach was to develop new selective CB2 receptor agonists without psychotropic side effects associated to CB1 receptors. In this purpose, a new series of 3-carboxamido-5-aryl-isoxazoles, never described previously as CB2 receptor agonists, was designed, synthesized and evaluated for their biological activity. The pharmacological results have identified great selective CB2 agonists with in vivo anti-inflammatory activity in a DSS-induced acute colitis mouse model. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2013.06.010
• 作为产物：
  描述：

  1-溴戊烷 、 2'-羟基苯乙酮 在 四丁基溴化铵 、 sodium chloride 、 sodium hydroxide 作用下， 以 水 、 甲苯 为溶剂， 反应 1.0h， 生成 2'-戊氧基苯乙酮
  参考文献：
  名称：

  2'-羟基苯乙酮的相转移催化烷基化的选择性工程：通过形成第三种液相来提高速率和选择性

  摘要：

  通过在合适的条件下形成第三液相（其中第三液相是主要反应的场所），可以在双相反应中提高反应速率和所需产物的选择性，从而对复杂化学品中的产物分布产生显着影响反应。因此，在相转移催化（PTC）的情况下，液-液（L-L）PTC转换为液-液-液（L-L-L）PTC具有重大的商业商业意义，从而使废物最小化是绿色化学的主要主题。在传统的液相-液相转移催化下，用1-溴戊烷将2'-羟基苯乙酮醚化，会导致催化剂损失。但是，将两个液相转换为三个液相（L-L-L）PTC会导致速率提高几个数量级，具有100％的限制反应物1-溴戊烷的转化率和100％的2'-戊氧基苯乙酮选择性。该策略消除了分离问题，并导致高反应速率，从而减少了总反应时间。而且，富含催化剂的第三相被循环使用了7次以上，而没有失去活性。对反应动力学进行了详细的研究。在L-L-L PTC下，活化能大大降低，而L-L PTC上反应的位置从有机相转移到了第三相

  DOI：

  10.1021/op050086m

文献信息

• SKIN WHITENING AGENT CONTAINING NOVEL CYCLIC COMPOUND
  申请人：RNS CO.,LTD.

  公开号：US20160221921A1

  公开（公告）日：2016-08-04

  Provided is a derivative or a polyhydroxy cyclic compound represented by Formula I or a pharmacologically acceptable salt thereof with excellent whitening effects, comprising; wherein circle around (A)} is derived from an aromatic cyclic compound, B is hydrogen, oxo (═O), amino (—NH 2 ), imino (═NH), or a saturated or unsaturated straight or branched alkyl, alkoxy, monoalkylamino, or dialkylamino group having 1 to 10 carbon atoms, C n , C n+1 and C n+2 are three neighboring carbon atoms present in the aromatic cyclic compound, wherein n is a positive integer, R 1 is hydrogen, hydroxy, or a saturated or unsaturated straight or branched alkyl or alkoxy group, X and Y are selected from a group consisting of hydrogen, hydroxy, and a saturated or unsaturated straight or branched alkoxy, or acyloxy group, and one of X and Y is hydrogen, R 2 , R 3 , R 4 and R 5 are each independently at least one substituent selected from a group consisting of hydrogen, alkyl, alkoxy, acyloxy, acyloxymethyl, oxo, hydroxy, vinyl, nitrile, carboxaldehyde, carbonitrile and aldehyde.

  提供的是一种由化学式I表示的衍生物或多羟基环化合物，或其药理学上可接受的盐，具有出色的美白效果，包括；其中圆圈A}源自芳香环化合物，B为氢、氧化物(═O)、氨基(—NH2)、亚胺基(═NH)或具有1至10个碳原子的饱和或不饱和直链或支链烷基、烷氧基、单烷基氨基或二烷基氨基基团，Cn、Cn+1和Cn+2是芳香环化合物中存在的三个相邻碳原子，其中n为正整数，R1为氢、羟基或饱和或不饱和直链或支链烷基或烷氧基，X和Y从氢、羟基和饱和或不饱和直链或支链烷氧基或酰氧基组成的一组中选择，并且X和Y中的一个为氢，R2、R3、R4和R5分别独立地至少为来自氢、烷基、烷氧基、酰氧基、酰氧甲基、氧化物、羟基、乙烯基、腈基、羧醛基、碳腈基和醛基的取代基组成的一组中的至少一种取代基。
• Indole Compound and Use Thereof
  申请人：Takeuchi Jun

  公开号：US20080188532A1

  公开（公告）日：2008-08-07

  The present invention relates to a compound represented by the formula (I), wherein all symbols are as defined in the description, a salt thereof, a solvate thereof, or a prodrug thereof, which has a leukotriene receptor antagonistic activity which is expected to be more effective than those of the leukotriene receptor antagonists currently used in clinical trials. Therefore, it is useful as an agent for the prevention and/or treatment of a leukotriene-mediated disease such as a respiratory diseases such as bronchial asthma, chronic obstructive pulmonary disease, pulmonary emphysema, chronic bronchitis, pneumonia (e.g. interstitial pneumonia etc.), severe acute respiratory syndrome (SARS), acute respiratory distress syndrome (ARDS), allergic rhinitis, sinusitis (e.g. acute sinusitis, chronic sinusitis, etc.), or the like, or as an expectorant or an antiitussive.

  本发明涉及一种化合物，其表示为公式（I），其中所有符号如描述中所定义，其盐，溶剂化物或前药，具有期望比目前在临床试验中使用的白三烯受体拮抗剂更有效的白三烯受体拮抗作用。因此，它可用作预防和/或治疗白三烯介导的疾病，例如呼吸系统疾病，如支气管哮喘，慢性阻塞性肺疾病，肺气肿，慢性支气管炎，肺炎（例如间质性肺炎等），严重急性呼吸综合征（SARS），急性呼吸窘迫综合征（ARDS），过敏性鼻炎，鼻窦炎（例如急性鼻窦炎，慢性鼻窦炎等），或作为祛痰剂或止咳剂。
• Oil-In-Water Emulsion Type Sunscreen Preparation
  申请人：Takakura Yoshihito

  公开号：US20100209365A1

  公开（公告）日：2010-08-19

  The object of the present invention is to provide an oil-in-water emulsified sunscreen cosmetic that is superior in stability and the sensation during use. This object is achieved by providing an oil-in-water emulsified sunscreen cosmetic that satisfies all of the following conditions (A), (B), (C), (D), and (E): (A) Containing the following three types of surfactants (A-1)-(A-3) in the amount of 1-6 wt % of the total amount of the cosmetic (A-1) A POE stearic ester having a POE mole number of 20-120 (A-2) Sorbitan tristearate (A-3) Glyceryl stearate having a HLB of 5-8 (B) Containing the following oil soluble ultraviolet absorbent, which is solid at room temperature, in the amount of 0.01-5 wt % of the total amount of the cosmetic Bis-ethylhexyloxyphenolmethoxyphenyltriazine and/or tert-butylmethoxybenzoylmethane (C) Containing the following oil soluble ultraviolet absorbent, which is liquid at room temperature, in the amount of 1-14 wt % of the total amount of the cosmetic Ethylhexyl methoxycinnamate and/or octocrylene (D) Containing the following water soluble ultraviolet absorbent in the amount of 0.1-5 wt % of the total amount of the cosmetic Phenylbenzimidazolesulfonic acid (E) Containing higher alcohol having 14-24 carbon atoms

  本发明的目的是提供一种油包水乳化防晒化妆品，其稳定性和使用感觉优越。该目的通过提供满足以下条件（A）、（B）、（C）、（D）和（E）的油包水乳化防晒化妆品来实现：（A）在化妆品总量的1-6重量％中含有以下三种表面活性剂（A-1）-（A-3）：（A-1）具有20-120个POE摩尔数的POE硬脂酸酯（A-2）三硬脂酸酯山梨醇酯（A-3）具有HLB值为5-8的硬脂酸甘油酯（B）在化妆品总量的0.01-5重量％中含有以下室温下为固体的油溶性紫外线吸收剂：双乙基己氧基苯氧基三唑啉和/或叔丁基甲氧基苯甲酰甲烷（C）在化妆品总量的1-14重量％中含有以下室温下为液体的油溶性紫外线吸收剂：甲氧基肉桂酸乙基己酯和/或辛基三甲基环己基氧基苯甲酮（D）在化妆品总量的0.1-5重量％中含有以下水溶性紫外线吸收剂：苯基苯并咪唑磺酸（E）含有14-24个碳原子的高级醇。
• Use Of Defined Cyclohexenones As Agents For The Superadditive Enhancement Of An Olfactory Impression And Fragrance And/Or Flavor Material Composition
  申请人：Symrise AG

  公开号：US20140023770A1

  公开（公告）日：2014-01-23

  A compound of Formula (I) or of a mixture comprising two, three, four, five, six or a plurality of different compounds of Formula (I) for the superadditive enhancement of an olfactory impression. The invention also relates to novel fragrance and/or flavor material compositions which, in addition to a compound of Formula (I) or a mixture thereof, further contains one, two, three or a plurality of further fragrance and/or flavor materials, the fragrance and/or flavor material or the further fragrance and/or flavor materials not being compound of Formula (I).

  本发明涉及一种化合物，其化学式为（I），或由两种、三种、四种、五种、六种或多种不同的化合物混合而成，用于增强嗅觉印象。本发明还涉及一种新型香气和/或风味材料组合物，该组合物除了含有化学式（I）的化合物或其混合物外，还进一步含有一种、两种、三种或多种其他香气和/或风味材料，所述香气和/或风味材料或进一步的香气和/或风味材料不是化学式（I）的化合物。
• Photochromic color rendering regulatory cosmetics
  申请人：SHISEIDO COMPANY LIMITED

  公开号：EP0359909A2

  公开（公告）日：1990-03-28

  A photochromic color rendering regulatory ingredient and cosmetics which use such ingredient which is able to main­tain color rendering at a constant level even in the presence of changes in light intensity. The photochromic color rendering regulatory ingredient is containing an inorganic compound which possesses photochromic properties.

  一种光致变色显色调节成分和使用这种成分的化妆品，即使在光照强度变化的情况下，也能将显色性保持在恒定水平。这种光致变色显色调节成分含有一种具有光致变色特性的无机化合物。