4-(3-chloropropoxy)benzophenone | 117022-50-1

• 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: 4-(3-chloropropoxy)benzophenone
• 英文别名: [4-(3-chloropropoxy)phenyl]-phenylmethanone
• CAS: 117022-50-1
• 化学式: C₁₆H₁₅ClO₂
• mdl: MFCD12444945
• 分子量: 274.747
• InChiKey: BPONSQOIWRPELV-UHFFFAOYSA-N

物化性质

• 熔点：
  53-56 °C(Solv: ligroine (8032-32-4))
• 沸点：
  424.5±25.0 °C(Predicted)
• 密度：
  1.164±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.187
• 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：

  4-(3-chloropropoxy)benzophenone 在 sodium iodide 作用下， 以 甲苯 、 丁酮 为溶剂， 反应 19.0h， 生成 4-[[N-methyl-N-(3-hydroxybenzyl)amino]propoxy]phenyl(phenyl)methanone
  参考文献：
  名称：

  Acetylcholinesterase Inhibitors:  SAR and Kinetic Studies on ω-[N-Methyl-N-(3-alkylcarbamoyloxyphenyl)methyl]aminoalkoxyaryl Derivatives

  摘要：

  In this work, we further investigated a class of carbamic cholinesterase inhibitors introduced in a previous paper (Rampa et al. J. Med. Chem. 1998, 41, 3976). Some new omega-[N-methyl-N-(3-alkylcarbamoyloxyphenyl)methyl]aminoalkoxyaryl analogues were designed, synthesized, and evaluated for their inhibitory activity against both acetyleholinesterase (AChE) and butyrylcholinesterase (BuChE). The structure of the lead compound (xanthostigmine) was systematically varied with the aim to optimize the different parts of the molecule. Moreover, such a structure-activity relationships (SAR) study was integrated with a kinetic analysis of the mechanism of AChE inhibition for two representative compounds. The structural modifications lead to a compound (12b) showing an IC50 value for the AChE inhibition of 0.32 +/- 0.09 nM and to a group of BuChE inhibitors also active at the nanomolar level, the most potent of which (15d) was characterized by an IC50 value of 3.3 +/- 0.4 nM. The kinetic analysis allowed for clarification of the role played by different molecular moieties with regard to the rate of AChE carbamoylation and the duration of inhibition. On the basis of the results presented here, it was concluded that the cholinesterase inhibitors of this class possess promising characteristics in view of a potential development as drugs for the treatment of Alzheimer's disease.

  DOI：

  10.1021/jm010914b
• 作为产物：
  描述：

  1-溴-3-氯丙烷 、 4-羟基-二苯甲酮 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 24.0h， 以34.9%的产率得到4-(3-chloropropoxy)benzophenone
  参考文献：
  名称：

  Synthesis, structures and properties of self-assembling quaternary ammonium dansyl fluorescent tags for porous and non-porous surfaces

  摘要：

  表面接枝的偶氮基苯基磺酰胺分子。

  DOI：

  10.1039/c3tb21633k
• 作为试剂：
  描述：

  4-羟基-二苯甲酮 、 potassium carbonate 、 1-溴-3-氯丙烷 在 丙酮 、 醋酸异丙酯 、 水 、 4-(3-chloropropoxy)benzophenone 作用下， 以 丁酮 为溶剂， 反应 16.0h， 以228 g of the crude 4-(3-chloropropoxy)benzophenone was isolated的产率得到4-(3-chloropropoxy)benzophenone
  参考文献：
  名称：

  POLYMERIZABLE TYPE II PHOTOINITIATORS AND CURABLE COMPOSITIONS

  摘要：

  一种可聚合的二型光引发剂，其化学式为（I）：其中：A代表Norrish二型引发基团；L代表二价连接基团，将Norrish二型引发基团A和CR2R3基团定位在1-5到1-8位置之间，其中位置1定义为A芳香或螺环的第一个原子，与L共价键合，位置5到8定义为CR2R3基团的碳原子，与L共价键合，但L不含胺基。辐射可固化组合物和油墨包括多功能二型光引发剂。

  公开号：

  US20110063388A1

文献信息

• Synthesis and antiallergy activity of 4-(diarylhydroxymethyl)-1-[3-(aryloxy)propyl)piperidines and structurally related compounds
  作者：David A. Walsh、Stephen K. Franzyshen、John M. Yanni

  DOI：10.1021/jm00121a022

  日期：1989.1

  A series of 4-(diarylhydroxymethyl)-1-[3-(aryloxy)propyl]piperidines was synthesized and evaluated for antiallergy activity. Several analogues had potent activity in the passive foot anaphylaxis (PFA) assay, an IgE-mediated model useful in the detection of compounds possessing antiallergic activity. In particular 1-[4-[3-[4-[bis(4-fluorophenyl)hydroxymethyl]-1-piperidinyl] propoxy]-3-methoxyphenyl]ethanone

  合成了一系列的4-（二芳基羟甲基）-1- [3-（芳氧基）丙基]哌啶，并评估了其抗过敏活性。几种类似物在被动足过敏症（PFA）检测中具有有效活性，PFA检测是一种IgE介导的模型，可用于检测具有抗过敏活性的化合物。特别是1- [4- [3- [4- [双（4-氟苯基）羟甲基] -1-哌啶基]丙氧基] -3-甲氧基苯基]乙酮（1，AHR-5333）比奥沙米特和特非那定在这种测定。
• Arylalkylheterocyclic amines,N-substituted by aryloxyalkyl group in a
  申请人：A. H. Robins Company, Incorporated

  公开号：US04950674A1

  公开（公告）日：1990-08-21

  A method of inhibiting Type 1 allergic responses in a living animal body with substituted heterocyclic amines is disclosed wherein the active agents are expressed generally by the formula which includes certain known and certain known compounds: ##STR1## wherein P is zero, one or two; m is one to six inclusive; A is selected from hydrogen, hydroxy or cyano; d is zero or one; Q is --CH--, CH.sub.2 -- or ##STR2## n is zero or one and when Q is --CH-- and n is one, a double bond is formed with one of the adjacent carbons but not both at the same time, and when n and d are zero at the same time, a double bond is formed between the .alpha. carbon and a carbon of the central heterocyclic amine ring; Ar, D and R are selected from phenyl, substituted phenyl, pyridinyl, thienyl, furanyl or naphthyl and in addition, R may have the values benzyl, substituted benzyl, cycloalkyl or loweralkyl and D may additionally have the values: 2H-1-benzopyran-2-one,4-oxo-4H-1-benzopyran-2-carboxylic acid loweralkyl ester, 2,3-dihydro-4H-1-benzopyran-4-one, 1,4-benzodioxanloweralkyl-2-yl or 1,1'-biphenyl-4-yl and the pharmaceutically acceptable salts thereof.

  揭示了一种利用取代杂环胺抑制活体动物体内的1型过敏反应的方法，其中活性剂通常由以下公式表示：其中P为零、一或二；m为一到六（包括六）；A选自氢、羟基或氰基；d为零或一；Q为--CH--、CH.sub.2--或n为零或一，当Q为--CH--且n为一时，与相邻碳之一形成双键，但不同时与两个相邻碳形成双键；当n和d同时为零时，在中心杂环胺环的α碳和一个碳之间形成双键；Ar、D和R选自苯基、取代苯基、吡啶基、噻吩基、呋喃基或萘基，此外，R可能具有苄基、取代苄基、环烷基或较低烷基的值，D还可能具有以下值：2H-1-苯并吡喃-2-酮、4-氧代-4H-1-苯并吡喃-2-羧酸较低烷基酯、2,3-二氢-4H-1-苯并吡喃-4-酮、1,4-苯并二氧杂环较低烷基-2-基或1,1'-联苯基-4-基，以及其药学上可接受的盐。
• Phenoxypropylpiperidines and -pyrrolidines and their use as histamine H3-receptor ligands
  申请人：BIOPROJET

  公开号：EP1717234A1

  公开（公告）日：2006-11-02

  The present patent application concerns compounds of formula (I), with R1 and R2 taken together with the nitrogen atom to which they are attached, form a mono or bicyclic saturated nitrogen-containing ring; their preparation and their use as a H3 receptor ligand for treating e.g. CNS disorders like Alzheimer's disease.

  本专利申请涉及公式（I）的化合物，其中R1和R2与它们所连接的氮原子一起形成一个单环或双环饱和氮含环；它们的制备以及它们作为H3受体配体用于治疗例如阿尔茨海默病等中枢神经系统疾病。
• Multifunctional Type II photoinitiators and curable compositions
  申请人：AGFA Graphics NV

  公开号：EP2130818A1

  公开（公告）日：2009-12-09

  A multifunctional Type II photoinitiator according to Formula (I): wherein X represents a structural moiety according to Formula (II): wherein: A represents a Norrish Type II initiating group; and L represents a divalent linking group positioning the Norrish Type II initiating group A and the CR2R3-group in a 1-5 to a 1-9 position wherein position 1 is defined as the first atom in the aromatic or alicyclic ring of A to which L is covalently bonded and the position 5 to 9 is defined as the carbon atom of the CR2R3-group to which L is covalently bonded, with the proviso that L does not contain an amine. Radiation curable compositions and inks including the multifunctional Type II photoinitiator are also disclosed.

  根据公式(I)，一种多功能的二类光引发剂，其中X代表根据公式(II)的结构基团，其中：A代表Norrish Type II引发基团；L代表二价连接基团，定位Norrish Type II引发基团A和CR2R3基团在1-5到1-9位置，其中位置1被定义为A的芳香环或脂环中与L共价结合的第一个原子，位置5到9被定义为CR2R3基团的碳原子，L与之共价结合，但L不含胺基。还公开了包括这种多功能二类光引发剂的辐射固化组合物和油墨。
• [EN] UV CURED BENZOPHENONE TERMINATED QUATERNARY AMMONIUM ANTIMICROBIALS FOR SURFACES<br/>[FR] REVÊTEMENTS ANTIMICROBIENS À BASE D'AMMONIUM QUATERNAIRE À TERMINAISON BENZOPHÉNONE DURCIS PAR UV POUR SURFACES
  申请人：NANO SAFE COATINGS INC A FLORIDA CORP 3 P14000024914

  公开号：WO2014089680A1

  公开（公告）日：2014-06-19

  The invention relates to benzophenone-terminated quaternary ammonium compounds, processes for preparing benzophenone-terminated quaternary ammonium compounds, environmentally friendly antimicrobial formulations of said quaternary ammonium compounds and their use as durable antimicrobial surface coatings for surfaces.

  该发明涉及苯酮端四元铵化合物，制备苯酮端四元铵化合物的方法，含有该四元铵化合物的环保抗菌配方，以及它们作为耐用抗菌表面涂层的用途。