tert-butyl 2-bromo-4-methylpentanoate | 152624-22-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: tert-butyl 2-bromo-4-methylpentanoate
• 英文别名: 2-bromo-4-methylpentanoic acid t-butyl ester；tert-butyl 2R-bromo-4-methyl-pentanoate；tert-butyl D,L-2-bromo-4-methylpentanoate；tert-butyl (R,S)-2-bromo-4-methylpentanoate；(S)-tert-butyl 2-bromo-4-methylpentanoate
• CAS: 152624-22-1
• 化学式: C₁₀H₁₉BrO₂
• 分子量: 251.164
• InChiKey: GUEMBXJPCMQKJW-UHFFFAOYSA-N

物化性质

• 沸点：
  212.2±8.0 °C(Predicted)
• 密度：
  1.189±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.9
• 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：

  tert-butyl 2-bromo-4-methylpentanoate 在 sodium hydroxide 、 氨 、 三氟乙酸 作用下， 生成 (S)-2-((S)-1-Carboxy-3-methyl-butylsulfanylmethyl)-pyrrolidine-1-carboxylic acid benzyl ester
  参考文献：
  名称：

  Modified di- and tripeptides of the C-terminal portion of oxytocin and vasopressin as possible cognition activation agents

  摘要：

  A number of peptides and modified peptides were synthesized and studied for their ability to reverse electroconvulsive shock-induced amnesia in rodents. A few of these peptides were selected for secondary evaluation in tests of short-term memory in rats and aged rhesus monkeys. A number of the peptides and modified peptides were active in the amnesia reversal test. In selected secondary tests, however, the chosen compounds failed to show significant activity in enhancing memory. New methods for preparing methyleneamino and methyleneoxy isosteres of peptides are reported. Other modified peptides also included methylenethio, methylenesulfonyl, and ethylene isosteres in place of the normal peptide amide bond.

  DOI：

  10.1021/jm00156a012
• 作为产物：
  描述：

  2-溴-4-甲基戊酸 在 硫酸 作用下， 以 二氯甲烷 为溶剂， 生成 tert-butyl 2-bromo-4-methylpentanoate
  参考文献：
  名称：

  Matrix metalloproteinase inhibitors

  摘要：

  化合物的化学式为（I），其中W为—NHOH或—OH，R1为自由或保护的羟甲基或巯基甲基或其衍生物，R2为自由或保护的羟基，R3和R4为有机基团，R5为氢或甲基，或者R4和R5与它们所连接的氮原子一起构成一个氮杂环基团，其溶剂化物、水合物和药学上可接受的盐可以抑制基质金属蛋白酶和肿瘤坏死因子（TNF）的释放。还描述了制备该化合物的过程、涉及该过程的中间体以及含有该化合物的药物组合物。

  公开号：

  US06194451B1

文献信息

• 5-Membered ring heterocycles as inhibitors of leucocyte adhesion and as VLA-4 antagonists
  申请人：Aventis Pharma Deutschland GmbH

  公开号：US20040220148A1

  公开（公告）日：2004-11-04

  Compounds of the formula I 1 in which B, D, E, R, W, Y, Z, b, c, d, e, f, g and h have the meanings indicated in the claims, are inhibitors of the adhesion and migration of leucocytes and/or antagonists of the adhesion receptor VLA-4 which belongs to the group of integrins. The invention relates to the use of compounds of the formula I and of pharmaceutical preparations which contain such compounds for the treatment and prophylaxis of diseases which are caused by an undesired extent of leucocyte adhesion and/or leucocyte migration or which are associated therewith or in which cell-cell or cell-matrix interactions which are based on interactions of VLA-4 receptors with their ligands play a part, for example of inflammatory processes, of rheumatoid arthritis or of allergic disorders, and it also relates to the use of compounds of the formula I for the production of pharmaceuticals for use in such diseases. It further relates to novel compounds of the formula I.

  公式I中B、D、E、R、W、Y、Z、b、c、d、e、f、g和h具有索引中指示的含义，是白细胞粘附和迁移的抑制剂和/或属于整合素群的粘附受体VLA-4的拮抗剂。本发明涉及公式I化合物的使用以及含有这种化合物的药物制剂，用于治疗和预防由白细胞粘附和/或白细胞迁移的不良程度引起的疾病，或与之相关的疾病，或基于VLA-4受体与其配体相互作用的细胞-细胞或细胞-基质相互作用在其中起作用的炎症过程、类风湿关节炎或过敏性疾病等，还涉及公式I化合物用于生产用于治疗此类疾病的药物。此外，还涉及公式I的新化合物。
• Stereoselective syntheses of substituted succinic acid derivatives of the iron chiral auxiliary [(η5-C5H5)Fe(CO)(PPh3)]
  作者：George Bashiardes、Graham J. Bodwell、Stephen P. Collingwood、James F. Costello、Stephen G. Davies、Ai M. Fletcher、Alan Garner、Simon C. Preston、James E. Thomson

  DOI：10.1016/j.tet.2014.09.049

  日期：2014.11

  A range of alkyl- or aryl-substituted iron succinoyl complexes, incorporating the iron chiral auxiliary [(η5-C5H5)Fe(CO)(PPh3)], were prepared in high regio- and diastereoselectivities by employing four successful strategies: (i) the alkylation of chiral enolate equivalents with tert-butyl bromoacetate; (ii) the mutual kinetic resolution of tert-butyl α-bromoacetate with a chiral acetate enolate equivalent;

  一系列烷基-或芳基取代的琥珀铁配合物，结合有铁手性辅助剂[（η 5 -C 5 H ^ 5）的Fe（CO）（PPH 3）]中，在高区域选择性和非对映选择性通过采用四次成功制备策略：（i）用溴乙酸叔丁酯将手性烯醇盐当量烷基化；（ⅱ）的相互动力学拆分叔具有手性乙酸烯醇酯等效物的α-溴乙酸丁酯；（iii）手性琥珀酰烯醇酸酯等效物的烷基化；（iv）将有机锂试剂或酰胺化锂试剂共轭加到手性富马酰基衍生物上。表现出发生了铁手性助剂的氧化裂解，而没有损害琥珀酰片段的立体化学完整性。
• Carbostyril derivatives as matrix metalloproteinases inhibitors
  申请人：Otsuka Pharmaceutical Co., Ltd.

  公开号：US05594006A1

  公开（公告）日：1997-01-14

  This invention provides a carbostyril derivative of the formula (1): ##STR1## where R.sup.1, R.sup.2, R.sup.3, R.sup.4, R.sup.5, R.sup.6 and n are as defined, or its salt. This carbostyril derivative or its salt possess an excellent matrix metalloproteinases inhibitory action.

  这项发明提供了公式（1）的一种羧基喹啉衍生物：##STR1## 其中R.sup.1、R.sup.2、R.sup.3、R.sup.4、R.sup.5、R.sup.6和n如定义，或其盐。该羧基喹啉衍生物或其盐具有出色的基质金属蛋白酶抑制作用。
• Novel method of treatment of inflammatory skin conditions
  申请人：Chandler Rupert Stephen

  公开号：US20070049518A1

  公开（公告）日：2007-03-01

  There is provided, inter alia, a method for the treatment or prevention of an inflammatory skin condition which is characterised by colonisation with Staphylococcus aureus , comprising the topical administration of an aureolysin inhibitor.

  提供了一种治疗或预防由金黄色葡萄球菌定植引起的炎症性皮肤病的方法，包括局部施用一种金黄色葡萄球菌溶素抑制剂。
• 2,4-Substituted imidazolidine derivatives, their preparation, their use and pharmaceutical preparations comprising them
  申请人：Aventis Pharma Deutschland GmbH

  公开号：US06423712B1

  公开（公告）日：2002-07-23

  The present invention relates to imidazolidine compounds of the formula I, The compounds of the formula I are valuable pharmaceutical active compounds, which are suitable, for example, for the therapy and prophylaxis of inflammatory disorders, for example of rheumatoid arthritis, or of allergic disorders. The compounds of the formula I are inhibitors of the adhesion and migration of leucocytes and/or antagonists of the adhesion receptor VLA-4 belonging to the integrins group. They are generally suitable for the therapy or prophylaxis of illnesses which are caused by an undesired extent of leucocyte adhesion and/or leucocyte migration or are associated therewith, or in which cell-cell or cell-matrix interactions which are based on interactions of VLA-4 receptors with their ligands play a part. The invention furthermore relates to processes for the preparation of the compounds of the formula I, their use in the therapy and prophylaxis of the disease states mentioned and pharmaceutical preparations which contain compounds of the formula I.

  本发明涉及式I的咪唑啉化合物，式I的化合物是有价值的药用活性化合物，例如，适用于治疗和预防炎症性疾病，例如类风湿关节炎，或过敏性疾病。式I的化合物是白细胞粘附和迁移的抑制剂和/或整合素群中属于粘附受体VLA-4的拮抗剂。它们通常适用于治疗或预防由白细胞粘附和/或白细胞迁移的不良程度引起的疾病，或与之相关的疾病，或者在其中基于VLA-4受体与其配体相互作用的细胞-细胞或细胞-基质相互作用发挥作用。本发明还涉及制备式I化合物的方法，它们在治疗和预防上述疾病状态的使用以及含有式I化合物的制药制剂。