2-溴-2-甲基-2-丙基乙酸乙酯 | 57081-65-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 2-溴-2-甲基-2-丙基乙酸乙酯
• 英文名称: 2-bromo-2-methyl-2-propyl acetic acid ethyl ester
• 英文别名: ethyl 2-bromo-2-methylpentanoate；ethyl D,L-2-bromo-2-methyl-valerate；2-bromo-2-methyl-valeric acid ethyl ester；2-Brom-2-methyl-valeriansaeure-aethylester
• CAS: 57081-65-9
• 化学式: C₈H₁₅BrO₂
• 分子量: 223.11
• InChiKey: HRISDVQCXAJSRW-UHFFFAOYSA-N

物化性质

• 沸点：
  198.7±8.0 °C(Predicted)
• 密度：
  1.258±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  11
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 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-溴-2-甲基-2-丙基乙酸乙酯 在 乙醇 、 氨 、 水 作用下， 生成 2-bromo-2-methyl-valeric acid amide
  参考文献：
  名称：

  DE170629

  摘要：

  公开号：
• 作为产物：
  描述：

  乙醇 、 2-bromo-2-methyl-valeric acid 在 草酰氯 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 22.0h， 生成 2-溴-2-甲基-2-丙基乙酸乙酯
  参考文献：
  名称：

  2-Amino-1,3-thiazol-4(5H)-ones as Potent and Selective 11β-Hydroxysteroid Dehydrogenase Type 1 Inhibitors: Enzyme−Ligand Co-Crystal Structure and Demonstration of Pharmacodynamic Effects in C57Bl/6 Mice

  摘要：

  11 beta-Hydroxy steroid dehydrogenase type 1 (11 beta-HSD1) has attracted considerable attention during the past few years as a potential target for the treatment of diseases associated with metabolic syndrome. In our ongoing work on 11-HSD1 inhibitors, a series of new 2-amino-1,3-thiazol-4(5H)-ones were explored. By inserting various cycloalkylamines at the 2-position and alkyl groups or spirocycloalkyl groups at the 5-position of the thiazolone, several potent 11 beta-HSD1 inhibitors were identified. An X-ray cocrystal structure of human 11 beta-HSD1 with compound 6d (K-i = 28 nM) revealed a large lipophilic pocket accessible by substitution off the 2-position of the thiazolone. To increase potency, analogues were prepared with larger lipophilic groups at this position. One of these compounds, the 3-noradamantyl analogue 8b, was a potent inhibitor of human 11 beta-HSD 1 (K-i = 3 nM) and also inhibited 11 beta-HSD1 activity in lean C57BI/6 mice when evaluated in an ex vivo adipose and liver cortisone to cortisol conversion assay.

  DOI：

  10.1021/jm701551j

文献信息

• Phenoxy alkanoic acid derivatives having the ability to lower the level
  申请人：Siegfried Aktiengesellschaft

  公开号：US04483999A1

  公开（公告）日：1984-11-20

  Novel compounds of the formula ##STR1## wherein R.sup.1 is hydrogen, halogen, or alkyl or alkoxy containing from 1 to 4 carbon atoms, R.sup.2 is hydrogen, halogen, hydroxy or alkyl of alkoxy containing from 1 to 4 carbon atoms, n and m are integers such that the sum (n+m) lies in the range from 3 to 10 inclusive and n differs from m, and x is alkyl containing from 1 to 4 carbon atoms, hydrogen or a cation which is a metal cation of main Groups 1, 2 and 3 of the Periodic System of the Elements, an organic base cation or an ammonium ion. These compounds have pharmaceutical utility by virtue of their considerable ability to reduce the level of fatty substances in the blood.

  该公式的新化合物为##STR1##其中R.sup.1为氢、卤素、或含有1至4个碳原子的烷基或烷氧基，R.sup.2为氢、卤素、羟基或含有1至4个碳原子的烷基或烷氧基，n和m为整数，使得总和(n+m)落在3至10的范围内，n不等于m，x为含有1至4个碳原子的烷基、氢或金属元素周期表主要1、2和3族的金属阳离子、有机碱阳离子或铵离子。这些化合物由于其显著降低血液中脂肪物质水平的能力而具有药用价值。
• Tandem Reactions Enable Trans- and Cis-Hydro-Tertiary-Alkylations Catalyzed by a Copper Salt
  作者：Kimiaki Nakamura、Takashi Nishikata

  DOI：10.1021/acscatal.6b03343

  日期：2017.2.3

  synthesize trans- and cis-alkenes via well-controlled hydroalkylation of alkyl radicals to alkynes is reported. α-Bromocarbonyl compounds are useful alkyl radical precursors in the presence of Cu(I) catalysts. Under copper catalyst conditions and in the presence of silane or alcohol/B2pin2, trans- and cis-hydroalkylation occurred with excellent stereoselectivities. The judicious choice of additives allowed for

  一种方法来合成反式-和顺式-烯烃通过良好控制的烷基基团，以炔烃的加氢烷基化报告。在Cu（I）催化剂存在下，α-溴羰基化合物是有用的烷基自由基前体。在铜催化剂条件下，在硅烷或醇/ B 2 pin 2的存在下，发生反式和顺式加氢烷基化反应，并具有出色的立体选择性。明智地选择添加剂可以实现这种立体发散，从而可以选择性地获得具有高收率的HSiTMS 3的反烷基化烯烃和t - BuOH / B 2 pin 2的顺式烷基化烯烃。
• Chlorobenzyl phenoxy alkoxylates
  申请人：Siegfried Aktiengesellschaft

  公开号：US04214095A1

  公开（公告）日：1980-07-22

  Novel compounds of the formula (1) ##STR1## wherein R.sup.1 and R.sup.2 are different lower alkyls and R.sup.3 is a lower alkyl or a methyl pyridine group, and the acid addition salts of formula (1) compounds when R.sup.3 is methyl pyridine. The novel compounds have an asymmetric C-atom and may be in the form of the D,L racemates or the D or L stereoisomers. These compounds are useful in the treatment of hypercholesterolemia and hyperlipidemia because of their high effectiveness in reducing the level of cholesterol and lipids in the blood combined with very low general toxicities and substantially reduced hepatomegalitic effects.

  化合物的新结构如下（1）其中R.sup.1和R.sup.2是不同的低碳烷基，R.sup.3是低碳烷基或甲基吡啶基，以及当R.sup.3为甲基吡啶时，公式（1）化合物的酸加盐。这些新化合物具有不对称的C原子，可能为D，L消旋体或D或L立体异构体的形式。这些化合物在治疗高胆固醇血症和高脂血症方面非常有用，因为它们在降低血液中胆固醇和脂质水平方面具有很高的有效性，同时具有非常低的一般毒性和大大减少的肝肿大作用。
• Chlorobenzyl phenoxy alkanoic compounds
  申请人：SIEGFRIED AKTIENGESELLSCHAFT

  公开号：EP0014493A1

  公开（公告）日：1980-08-20

  Compounds of formula (1) wherein R' and R2 are the same or different lower alkyls, R3 is hydrogen, a lower alkyl optionally substituted with a nitrogen-containing basic group or an ion of a pharmaceutically acceptable metal, and R' is hydrogen or nitro; and the acid addition salts of said formula (1) compounds with pharmaceutically acceptable acids when R3 comprises a nitrogen-containing basic group. When R4 is nitro, R1 and/or R2 may also represent hydrogen. These compounds are useful in the treatment of hypercholesterolemia and hyperlipidemia because of their high effectiveness in reducing the level of cholesterol and lipids in the blood combined with very low general toxicities and substantially reduced hepatomegalitic effects.

  式(1)化合物 其中，R'和 R2 是相同或不同的低级烷基，R3 是氢、任选被含氮碱性基团或药学上可接受的金属离子取代的低级烷基，R'是氢或硝基；当 R3 包含含氮碱性基团时，所述式（1）化合物与药学上可接受的酸的酸加成盐。当 R4 为硝基时，R1 和/或 R2 也可以代表氢。 这些化合物可用于治疗高胆固醇血症和高血脂症，因为它们在降低血液中胆固醇和血脂水平方面效果显著，而且一般毒性极低，对肝脏的影响也大大降低。
• Blaise; Luttringer, Bulletin de la Societe Chimique de France, 1905, vol. <3>33, p. 821
  作者：Blaise、Luttringer

  DOI：——

  日期：——