4-hydroxy-4-methyl-valeric acid | 23327-19-7

• 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: 4-hydroxy-4-methyl-valeric acid
• 英文别名: 4-hydroxy-4-methylpentanoic acid；4-Hydroxy-4-methyl-pentansaeure；4-Hydroxy-4-methyl-valeriansaeure；γ-Hydroxy-isocapronsaeure；2-Hydroxy-2-methyl-pentansaeure-(5)；γ-Oxy-γ-methyl-butan-α-carbonsaeure；γ-Oxy-γ-methyl-n-valeriansaeure；3-Oxy-3-methyl-butan-carbonsaeure-(1)；γ-Oxy-isobutylessigsaeure；2-Methyl-pentanol-(2)-saeure-(5)
• CAS: 23327-19-7
• 化学式: C₆H₁₂O₃
• 分子量: 132.159
• InChiKey: PQJUMPXLDAZULJ-UHFFFAOYSA-N

物化性质

• 沸点：
  270.8±23.0 °C(Predicted)
• 密度：
  1.103±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-hydroxy-4-methyl-valeric acid 在 palladium dihydroxide 2,6-二甲基吡啶 、 4-二甲氨基吡啶 、 lithium hydroxide 、 氢气 、 双氧水 、 1-羟基苯并三唑 、 三乙胺 、 N,N'-二环己基碳二亚胺 、 三氟乙酸 作用下， 以 四氢呋喃 、 甲醇 、 乙醚 、 二氯甲烷 、 水 为溶剂， 反应 92.83h， 生成 hydroxyhomodestruxin B
  参考文献：
  名称：

  Probing Host-Selective Phytotoxicity:  Synthesis of Destruxin B and Several Natural Analogues

  摘要：

  The syntheses of the host-selective phytotoxin destruxin B [cyclo(beta Ala-Hmp-Pro-Ile-MeVal-MeAla), Hmp = (2R)-2-hydroxy-4-methylpentanoic acid], and the closely related natural analogues homodestruxin B (MeVal --> MeIle), desmethyldestruxin B (MeVal --> Val), hydroxydestruxin B (Hmp --> Dhmp, Dhmp = (2R)-2,4-dihydroxy-4-methylpentanoic acid), and hydroxyhomodestruxin B (MeVal --> MeIle, Hmp-Dhmp) are described. In each case, the MeAla-beta Ala linkage was formed by cyclization and the precursor linear hexadepsipeptides were formed by condensing two three-residue fragments. Radiolabeled samples of destruxin B, homodestruxin B, and hydroxydestruxin B were prepared by coupling [3-C-14]-beta -alanine to the appropriate pentadepsipeptide followed by cyclization. A noteworthy feature of the synthesis involves the novel use of a Boc-hydrazide protecting group on dipeptides with a C-terminal N-methylalanine residue to inhibit the otherwise facile dioxopiperazine formation during peptide coupling.

  DOI：

  10.1021/jo015953+
• 作为产物：
  描述：

  5-羟基-2-戊酮 在 potassium permanganate 作用下， 生成 4-hydroxy-4-methyl-valeric acid
  参考文献：
  名称：

  Franke; Kohn, Monatshefte fur Chemie, 1907, vol. 28, p. 1006

  摘要：

  DOI：

文献信息

• ORGANIC COMPOUNDS
  申请人：Breitenstein Werner

  公开号：US20090233920A1

  公开（公告）日：2009-09-17

  The invention relates to 3,5-substituted piperidine compounds, these compounds for use in the diagnostic and therapeutic treatment of a warm-blooded animal, especially for the treatment of a disease (=disorder) that depends on activity of renin; the use of a compound of that class for the preparation of a pharmaceutical formulation for the treatment of a disease that depends on activity of renin; the use of a compound of that class in the treatment of a disease that depends on activity of renin; pharmaceutical formulations comprising a 3,5-substituted piperidine compound, and/or a method of treatment comprising administering a 3,5-substituted piperidine compound, a method for the manufacture of a 3,5-substituted piperidine compound, and novel intermediates and partial steps for its synthesis. The preferred compounds (which can also be present as salts) have the formula I wherein R1, R2, T, R3 and R4 are as defined in the specification.

  该发明涉及3,5-取代哌啶化合物，这些化合物用于诊断和治疗温血动物，特别是用于治疗依赖肾素活性的疾病（=紊乱）；该类化合物用于制备用于治疗依赖肾素活性疾病的药物配方；该类化合物用于治疗依赖肾素活性的疾病；包括3,5-取代哌啶化合物的药物配方，和/或包括给予3,5-取代哌啶化合物的治疗方法，一种用于制造3,5-取代哌啶化合物的方法，以及其合成的新中间体和部分步骤。优选的化合物（也可以存在为盐）具有式I的结构，其中R1、R2、T、R3和R4如规范中定义。
• An Iron Catalyst for Oxidation of Alkyl CH Bonds Showing Enhanced Selectivity for Methylenic Sites
  作者：Irene Prat、Laura Gómez、Mercè Canta、Xavi Ribas、Miquel Costas

  DOI：10.1002/chem.201203281

  日期：2013.2.4

  Many are called but few are chosen: A nonheme iron complex catalyzes the oxidation of alkyl CH bonds by using H2O2 as the oxidant, showing an enhanced selectivity for secondary over tertiary CH bonds (see scheme).

  许多被称为但被选择几个：阿非血红素铁络合物催化烷基C的氧化 H键通过使用H 2 ö 2作为氧化剂时，示出了用于增强的选择性二次过叔C  H键（参见方案）。
• METHOD FOR PREPARING HALOFUGINONE DERIVATIVE
  申请人：Wang Xiaoqi

  公开号：US20120178929A1

  公开（公告）日：2012-07-12

  A method for preparing a halofuginone derivative, in particular a method for preparing an inhibitor medicament expressed by specific I-type procollagen in the invention a condensate of formula (II) reacts for 12-35 hours in a catalytic hydrogenation solvent with the existence of Ni—B amorphous alloy catalyst, at the hydrogen pressure of 0.1-10 Mpa and at the temperature of 10-60° C., and then the catalyst is filtered, the filtrate is decompressed to recover the solvent, the pH value is regulated to obtain a crude product of formula (I), and the crude product of the formula (I) is refined to obtain a refined product of formula (I).

  一种制备半氟吡咯醇衍生物的方法，特别是一种制备在发明中通过特定I型前胶原表达的抑制剂药物的方法，其中公式（II）的缩聚物在存在Ni—B非晶合金催化剂的催化氢化溶剂中，在0.1-10 Mpa的氢压和10-60°C的温度下反应12-35小时，然后过滤催化剂，将滤液减压以回收溶剂，调节pH值以获得公式（I）的粗产品，将公式（I）的粗产品精制以获得公式（I）的精制产品。
• Untersuchungen zur Glykosidsynthese, IV. Neuartige Silbersalze in der Glykosidsynthese
  作者：Günter Wulff、Gerhard Röhle、Wolfgang Krüger

  DOI：10.1002/cber.19721050403

  日期：1972.4

  Bei der Glykosylierung von Steroidalkoholen (u.a. 4 und 9–12, R == OH) mit cis-Halogenosen in Gegenwart verschiedener Silbersalze erwiesen sich die von 2-, 3-und 4-Hydroxy-carbonsäuren sowie von 1.3- und 1.4-Dicarbonsäuren den üblichen Salzen in vielen Fällen als überlegen. Gute Ausbeuten (an 5, 7–12) wurden dann erhalten, wenn im Anion des Silbersalzes durch eine Nachbargruppenbeziehung die Bildung

  Bei der Glykosylierung von Steroidalkoholen（ua 4 und 9 – 12，R == OH）mit顺式-Halogenosen在Gegenwart verschiedener Silbersalze erwiesen sich die von 2-，3-und4-Hydroxy-carbonsäurensowie von 1.3- and 1.4-Dicarbons vielenFällenalsüberlegen的üblichenSalzen。固特Ausbeuten（一个5，7 - 12）wurden达恩erhalten，WENN IM阴离子DES Silbersalzes第三人以EINE Nachbargruppenbeziehung死教化DER 1- ö酰基葡萄糖zugunsten DER Glykosidbidungeingeschrän
• POLYURETHANES
  申请人：Ercole Francesca

  公开号：US20120252967A1

  公开（公告）日：2012-10-04

  The present invention relates to a polyurethane polymer comprising as part of its polymer backbone an α-oxy carbonyl moiety of general formula (I), where A and B represent the remainder of the polymer backbone and are the same or different, and R is an optionally substituted aliphatic hydrocarbon having three or more carbon atoms.

  本发明涉及一种聚氨酯聚合物，其聚合物主链中包含通式(I)的α-氧基羰基基团，其中A和B代表聚合物主链的其余部分，可以相同也可以不同，R是具有三个或三个以上碳原子的可选择取代的脂肪族碳氢化合物。