2-溴苯基丙酸酯 | 23600-76-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 中文名称: 2-溴苯基丙酸酯
• 英文名称: 2-bromophenyl propionic acid
• 英文别名: propionic acid-(2-bromo-phenyl ester)；Propionsaeure-(2-brom-phenylester)；2-Brom-1-propionyloxy-benzol；(2-Brom-phenyl)-propionat；o-bromophenyl propionate；o-Brom-phenylpropionat；(2-bromophenyl) propanoate
• CAS: 23600-76-2
• 化学式: C₉H₉BrO₂
• 分子量: 229.073
• InChiKey: CQOJLROYGSGCQQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2915509000

反应信息

• 作为反应物：
  描述：

  2-溴苯基丙酸酯 在 四氯化钛 作用下， 生成 2-Brom-6-propionyl-anisol
  参考文献：
  名称：

  Martin,R.; Betoux,J.M., Bulletin de la Societe Chimique de France, 1969, p. 2079 - 2088

  摘要：

  DOI：
• 作为产物：
  描述：

  2-溴苯酚 、 丙酰氯 在 吡啶 作用下， 以 苯 为溶剂， 生成 2-溴苯基丙酸酯
  参考文献：
  名称：

  Martin,R.; Betoux,J.M., Bulletin de la Societe Chimique de France, 1969, p. 2079 - 2088

  摘要：

  DOI：

文献信息

• Compositions, Methods of Use, and Methods of Treatment
  申请人：Amin Jahanshah

  公开号：US20140221473A1

  公开（公告）日：2014-08-07

  Embodiments of the present disclosure provide compositions including ketamine analogues, salts, and disalts, pharmaceutical compositions including ketamine analogues, salts, or disalts, methods of treatment of a condition or disease, methods of treatment using compositions or pharmaceutical compositions, and the like.

  本公开的实施例提供了包括氯胺酮类似物、盐和双盐在内的组合物，包括氯胺酮类似物、盐或双盐的药物组合物，治疗疾病或疾病的方法，使用组合物或药物组合物进行治疗的方法等。
• Conformationally rigid derivatives of WAY-267,464: Synthesis and pharmacology at the human oxytocin and vasopressin-1a receptors
  作者：William T. Jorgensen、Damien W. Gulliver、Timothy A. Katte、Eryn L. Werry、Tristan A. Reekie、Mark Connor、Michael Kassiou

  DOI：10.1016/j.ejmech.2017.10.059

  日期：2018.1

  WAY-267,464 (1) and twelve conformationally rigid analogues (3a-f–4a-f) were synthesised, characterised and evaluated in cellular assays with the aim of systematically exploring interactions with the oxytocin receptor (OTR). Each analogue was evaluated in radioligand binding displacement assays at both human OTR and arginine vasopressin 1a receptors (V1aR). Physiological characterisation was determined

  WAY-267,464（1）和十二种构象刚性的类似物（3a-f-4a-f）进行了合成，表征和细胞分析中的评估，目的是系统地探索与催产素受体（OTR）的相互作用。在人类OTR和精氨酸加压素1a受体（V 1a R）的放射性配体结合置换试验中评估了每个类似物。通过对稳定转染的人胚肾（HEK）细胞进行全细胞IP1累积测定来确定生理学特征。与1相比，刚性，可选取代的苯环的结合消除了OTR活性，并降低了V 1a R药理作用。在V 1a中观察到总体趋势对丙基类似物（3d-3f）的R亲和力将邻位取代的类似物鉴定为最佳串联（Ki = 251 nM），随后通过间位和对位衍生物的亲和力降低（3e ; Ki = 874 nM和3f； Ki分别为1756 nM）。这项研究证实了WAY-267,464的中心药效基序的重要性，并阐明了高度保守的OTR和V 1a R的结合口袋中的差异。
• POLYMERISATION USING CHAIN TRANSFER AGENTS
  申请人：Perrier Sebastian

  公开号：US20090215965A1

  公开（公告）日：2009-08-27

  The invention provides a process for synthesising functionalised chain transfer polymers of Formula (1) or Formula (2) using thiocarbonyl thio compounds as chain transfer agents. Why R1 is a moiety comprising a functional group; Q is obtained from an olefinically unsaturated monomer; R′ is selected from the group consisting of alkyl, substituted alkyl, alkoxy, substituted alkoxy, an aromatic saturated or unsaturated carbocyclic or heterocyclic ring, optionally substituted with one or more substituents, amino alkyl, cyanoalkyl, hydroxylalkyl, saturated and unsaturated amido; an organometallic species, a polymer chain and any of the foregoing substituted with one or more CN or OH groups; q=an integer of at least 2; p=an integer of at least 1. Chain transfer agents and polymers produced by the method are also provided.

  该发明提供了一种合成功能化链转移聚合物的方法，使用硫代羰基硫化合物作为链转移剂，其化学式为(1)或(2)。其中，R1是包含功能基团的基团；Q是从烯烃不饱和单体获得的；R′选自包括烷基、取代烷基、烷氧基、取代烷氧基、芳香饱和或不饱和碳环或杂环环，可选地取代一个或多个取代基，氨基烷基、氰基烷基、羟基烷基、饱和和不饱和酰胺的基团；有机金属物种、聚合物链和上述任何一种基团，其中取代有一个或多个CN或OH基团；q至少为2的整数；p至少为1的整数。该方法还提供了链转移剂和由该方法产生的聚合物。
• Dynamic resolution of isomers and resolved isomers
  申请人：——

  公开号：US20020111512A1

  公开（公告）日：2002-08-15

  Provided is a dynamic resolution method of enriching a desired isomer of an alpha-substituted carboxylic acid relative to an undesired isomer, the method comprising: (a) in a solvent, contacting the alpha-substituted carboxylic acid, wherein the alpha substitution is with a leaving group and wherein the alpha carbon is chiral, with a homochiral amine to form a salt that is partially insoluble under selected reaction conditions, wherein the homochiral amine is selected so that the solubility of the amine salt of the undesired alpha-substituted carboxylic acid is greater than that of the amine salt of the desired alpha-substituted carboxylic acid under the selected reaction conditions; (b) reacting under the selected reaction conditions the salt with a nucleophile, wherein the reacting is effective in producing a net increase in the less soluble amine salt of the alpha-substituted carboxylic acid, and wherein the selected conditions are selected to (i) promote nucleophilic substitution of the nucleophile and the leaving group or (ii) to produce the increase in the less soluble amine salt in the absence of a strong base; and (c) maintaining the reaction for a period of time effective to increase the amount of the desired alpha-substituted carboxylic acid isomer.

  提供一种动态分辨方法，用于富集所需的α-取代羧酸同分异构体相对于不需要的同分异构体，该方法包括：（a）在溶剂中，将α-取代羧酸与手性同构胺接触，其中α取代基带有离去基团，α碳是手性的，形成部分不溶于所选反应条件下的盐，其中所选的手性同构胺被选择为在所选反应条件下，不需要的α-取代羧酸胺盐的溶解度大于所需的α-取代羧酸胺盐的溶解度；（b）在所选的反应条件下，用亲核试剂反应所述盐，反应有效地产生较不溶的α-取代羧酸胺盐的净增加，所选条件被选择为（i）促进亲核试剂和离去基团的亲核取代或（ii）在没有强碱的情况下产生较不溶的胺盐的增加；（c）维持反应一段有效时间，以增加所需的α-取代羧酸同分异构体的数量。
• [EN] 2-ARYL-PROPIONIC ACIDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM<br/>[FR] ACIDES 2-ARYL-PROPIONIQUES ET COMPOSITIONS PHARMACEUTIQUES RENFERMANT CEUX-CI
  申请人：DOMPE SPA

  公开号：WO2003043625A1

  公开（公告）日：2003-05-30

  (R) and (S) 2-Aryl-propionic acids, and pharmaceutical compositions that contain them, are useful in inhibiting chemotactic activation of neutrophils (PMN leukocytes) induced by the interaction of Interleukin-8 (IL-8) with CXCR1 and CXCR2 membrane receptors. The acids are used for the prevention and treatment of pathologies deriving from said activation. In particular, the (R) enantiomers of said acids are lacking cyclo-oxygenase inhibition activity and are particularly useful in the treatment of neutrofil-dependent pathologies such as psoriasis, ulcerative colitis, melanoma, chronic obstructive pulmonary disease (COPD),bollous pemphigo, rheumatoid arthritis, idiopathic fibrosis, glomerulonephritis and in the prevention and treatment of damages caused by ischemia and reperfusion.

  (R)和(S) 2-芳基丙酸及含有它们的药物组合物，可用于抑制由白细胞介素-8（IL-8）与CXCR1和CXCR2膜受体相互作用引起的嗜中性粒细胞（PMN白细胞）的趋化活化。这些酸用于预防和治疗由该活化引起的病理。特别地，这些酸的(R)对映体缺乏环氧合酶抑制活性，特别适用于治疗依赖于中性粒细胞的病理，如银屑病，溃疡性结肠炎，黑色素瘤，慢性阻塞性肺疾病（COPD），天疱疮，类风湿性关节炎，特发性纤维化，肾小球肾炎以及缺血再灌注所致的损伤的预防和治疗。