(3-bromoacetonyl)triphenylphosphonium bromide | 19753-64-1

• 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: (3-bromoacetonyl)triphenylphosphonium bromide
• 英文别名: <3-Brom-acetonyl>-triphenylphosphoniumbromid；(3-Bromo-2-oxopropyl)(triphenyl)phosphanium bromide；(3-bromo-2-oxopropyl)-triphenylphosphanium;bromide
• CAS: 19753-64-1
• 化学式: Br*C₂₁H₁₉BrOP
• 分子量: 478.163
• InChiKey: YXEJQLYLFDGVOO-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.95
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (3-bromoacetonyl)triphenylphosphonium bromide 在 哌啶 、 sodium perchlorate 作用下， 以 乙酸酐 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.5h， 生成 2--1-<3-(triphenylphosphonio)acetonyl>quinolinium diperchlorate
  参考文献：
  名称：

  Zhivoglazova, L. E.; Pridan, V. E.; Shevchuk, M. I., Journal of general chemistry of the USSR, 1986, vol. 56, p. 939 - 942

  摘要：

  DOI：
• 作为产物：
  描述：

  1,3-二溴丙酮 、 三苯基膦 生成 (3-bromoacetonyl)triphenylphosphonium bromide
  参考文献：
  名称：

  Issleib,K.; Lindner,R., Justus Liebigs Annalen der Chemie, 1968, vol. 713, p. 12 - 29

  摘要：

  DOI：

文献信息

• [EN] CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS<br/>[FR] COMPOSÉS MACROCYCLIQUES ENTIÈREMENT SYNTHÉTIQUES, À CONFORMATION CONTRAINTE
  申请人：POLYPHOR AG

  公开号：WO2011015241A1

  公开（公告）日：2011-02-10

  Conformationally restricted, spatially defined 12-30 membered macrocyclic ring systems of type (I) are constituted by three distinct building blocks: an aromatic template a, a conformation modulator b and a spacer moiety c as detailed in the description and the claims. Macrocycles of type (I) are readily manufactured by parallel synthesis or combinatorial chemistry. They are designed to interact with specific biological targets. In particular, they show agonistic or antagonistic activity on the motilin receptor (MR receptor), on the serotonin receptor of subtype 5-HT2B (5-HT2B receptor), and on the prostaglandin F2 • receptor (FP receptor). They are thus potentially useful for the treatment of hypomotility disorders of the gastrointestinal tract such as diabetic gastroparesis and constipation type irritable bowl syndrome; of CNS related diseases like migraine, schizophrenia, psychosis or depression; of ocular hypertension such as associated with glaucoma and preterm labour.

  构象受限、空间定义的12-30元大环环系统(I型)由三个不同的构建模块组成：芳香模板a、构象调节剂b和间隔基团c，详细描述在说明书和专利要求中。I型大环可通过并行合成或组合化学方法轻松制备。它们设计用于与特定生物靶点相互作用。特别是，它们在胃动素受体(MR受体)、5-羟色胺受体亚型5-HT2B(5-HT2B受体)和前列腺素F2•受体(FP受体)上显示激动或拮抗活性。因此，它们潜在用于治疗胃肠道低动力障碍，如糖尿病性胃轻瘫和便秘型肠易激综合征；中枢神经系统相关疾病，如偏头痛、精神分裂症、精神病或抑郁症；眼压增高，如青光眼和早产。
• CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS
  申请人：Obrecht Daniel

  公开号：US20120202821A1

  公开（公告）日：2012-08-09

  Conformationally restricted, spatially defined 12-30 membered macrocyclic ring systems of type (I) are constituted by three distinct building blocks: an aromatic template a, a conformation modulator b and a spacer moiety c as detailed in the description and the claims. Macrocycles of type (I) are readily manufactured by parallel synthesis or combinatorial chemistry. They are designed to interact with specific biological targets. In particular, they show agonistic or antagonistic activity on the motilin receptor (MR receptor), on the serotonin receptor of subtype 5-HT 2B (5-HT 2B receptor), and on the prostaglandin F2•receptor (FP receptor). They are thus potentially useful for the treatment of hypomotility disorders of the gastrointestinal tract such as diabetic gastroparesis and constipation type irritable bowl syndrome; of CNS related diseases like migraine, schizophrenia, psychosis or depression; of ocular hypertension such as associated with glaucoma and preterm labour.

  构象受限、空间定义的12-30环大环环系统(I型)由三个不同的构建模块组成：芳香模板a、构象调节剂b和间隔基团c，如详细描述和索赔中所述。类型(I)的大环可通过并行合成或组合化学方法轻松制备。它们被设计用于与特定生物靶点相互作用。特别是，它们在胃动素受体(MR受体)、5-HT2B亚型的5-羟色胺受体(5-HT2B受体)和前列腺素F2受体(FP受体)上显示出激动或拮抗活性。因此，它们潜在地可用于治疗胃肠道低动力障碍，如糖尿病性胃轻瘫和便秘型肠易激综合征；中枢神经系统相关疾病，如偏头痛、精神分裂症、精神病或抑郁症；眼压增高，如青光眼和早产。
• Regioselective C–H Bond Activation of Asymmetric Bis(ylide)s Promoted by Pd
  作者：Elena Serrano、Tatiana Soler、Esteban P. Urriolabeitia

  DOI：10.1002/ejic.201700030

  日期：2017.4.18

  Financial support from Gobierno de Aragon – Fondos Europeospara el Desarrollo Regional (FEDER) under project E-97 is grate-fully acknowledged.

  非常感谢 Gobierno de Aragon – Fondos Europeospara el Desarrollo Regional (FEDER) 在 E-97 项目下的财政支持。
• Issleib,K.; Lindner,R., Justus Liebigs Annalen der Chemie, 1968, vol. 713, p. 12 - 29
  作者：Issleib,K.、Lindner,R.

  DOI：——

  日期：——
• Chernyuk, I. N.; Yagodinets, P. I.; Shevchuk, M. I., Journal of general chemistry of the USSR, 1983, vol. 53, # 12, p. 2424 - 2429
  作者：Chernyuk, I. N.、Yagodinets, P. I.、Shevchuk, M. I.、Torgan, L. I.

  DOI：——

  日期：——