2,4-dibromo-N-methylbutyramide | 132996-62-4

• 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: 2,4-dibromo-N-methylbutyramide
• 英文别名: N-methyl-2,4-dibromobutanamide；N-methyl-2,4-dibromobutyric acid amide；2,4-dibromo-N-methyl-butanamide；N-methyl-2,4-dibromobutyramide；2,4-Dibromo-N-methylbutanamide
• CAS: 132996-62-4
• 化学式: C₅H₉Br₂NO
• 分子量: 258.941
• InChiKey: HPCYZQZHUNXJPG-UHFFFAOYSA-N

物化性质

• 熔点：
  53-56 °C
• 沸点：
  330.4±32.0 °C(Predicted)
• 密度：
  1.801±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2,4-dibromo-N-methylbutyramide 在 18-冠醚-6 、 sodium hydride 作用下， 以 乙腈 为溶剂， 生成 1-甲基-2-氧代-3-吡咯烷基乙酸酯
  参考文献：
  名称：

  Chemoenzymatic enantioselective synthesis of 3-hydroxy-2-pyrrolidinones and 3-hydroxy-2-piperidinones

  摘要：

  The enantioselective synthesis of 3-hydroxypyrrolidin-2-ones and 3-hydroxy piperidin-2-ones has been carried out in high enantiomeric excess employing immobilized lipase from Pseudomonas cepacia. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(03)00548-2
• 作为产物：
  描述：

  2,4-二溴丁酸甲酯 在 甲胺 作用下， 以 氯仿 、 乙酸乙酯 为溶剂， 生成 2,4-dibromo-N-methylbutyramide
  参考文献：
  名称：

  3-hydroxy-N-methylpyrrolidone and preparation thereof

  摘要：

  这种新型化合物，3-羟基-N-甲基吡咯烷酮，对于促进药物从人和动物的皮肤中透过吸收非常有效。3-羟基-N-甲基吡咯烷酮是从δ-丁内酯中制备而来，先将其转化为甲基2,4-二溴丁酸酯，再将该中间体与甲基胺反应，形成N-甲基-2,4-二溴丁酰胺，接着将该中间体通过环合反应转化为3-溴-N-甲基-2-吡咯烷酮，最后将3-溴-N-甲基-2-吡咯烷酮与碱土金属碳酸盐或碱金属碳酸盐反应，制得3-羟基-N-甲基-2-吡咯烷酮。

  公开号：

  US04973708A1

文献信息

• Indium-mediated reductive dehalogenation of α-halocarbonyl compounds in water†
  作者：Leeyoung Park、Gyochang Keum、Soon Bang Kang、Kwan Soo Kim、Youseung Kim

  DOI：10.1039/b005278g

  日期：——

  Reactions of various α-halocarbonyl compounds 1 with indium in the presence of a catalytic amount of sodium dodecyl sulfate in water were performed to afford the corresponding parent carbonyl compounds 2 in excellent yields.

  在水存在下，以二辛基磺酸钠作为催化剂，各种α-卤代羰基化合物1与铟反应，得到了相应的母体羰基化合物2，产率极佳。
• CHEMICAL COMPOUNDS
  申请人：Campbell Leonie

  公开号：US20080171734A1

  公开（公告）日：2008-07-17

  The invention relates to a novel group of compounds of Formula (I) or a salt thereof: wherein R 1 , A and HET-1 are as described in the specification, which may be useful in the treatment or prevention of a disease or medical condition mediated through glucokinase (GLK) such as type 2 diabetes. The invention also relates to pharmaceutical compositions comprising said compounds, methods of treatment of diseases mediated by GLK using said compounds and methods for preparing compounds of Formula (I).

  这项发明涉及一类新型化合物，其化学式为（I）或其盐：其中R1、A和HET-1如规范中所述，可能在通过葡萄糖激酶（GLK）介导的疾病或医疗状况的治疗或预防中有用，例如2型糖尿病。该发明还涉及包括所述化合物的药物组合物，使用所述化合物治疗由GLK介导的疾病的方法，以及制备化合物（I）的方法。
• Synthesis and antiinflammatory activities of 3-(3,5-di-tert-butyl-4-hydroxybenzylidene)pyrrolidin-2-ones
  作者：H. Ikuta、H. Shirota、S. Kobayashi、Y. Yamagishi、K. Yamada、I. Yamatsu、K. Katayama

  DOI：10.1021/jm00394a011

  日期：1987.11

  5-di-tert-butyl-4-hydroxybenzylidene)pyrrolidin-2-ones was synthesized and evaluated as candidate antiinflammatory/analgesic agents as well as dual inhibitors of prostaglandin and leukotriene synthesis. Some compounds that showed dual inhibitory activity were found to possess equipotent antiinflammatory activities to indomethacin, with reduced ulcerogenic effects. One of the compounds, N-methoxy-3-(3,5-d

  合成了一系列3-（3,5-二叔丁基-4-羟基亚苄基）吡咯烷酮-2-酮，并作为候选抗炎/止痛药以及前列腺素和白三烯合成的双重抑制剂进行了评估。发现某些具有双重抑制活性的化合物具有与消炎痛同等的抗炎活性，并具有降低的致溃疡作用。发现其中一种化合物N-甲氧基-3-（3,5-二叔丁基-4-羟基苄叉基）吡咯烷-2--2-烯比吲哚美辛或吡罗昔康具有更宽的安全系数，因此被选择用于详细评估为临床应用的候选药物。
• 3-hydroxy-N-methylpyrrolidone and use as transdermal enhancer
  申请人：The University of Kentucky Research Foundation

  公开号：US05032402A1

  公开（公告）日：1991-07-16

  The novel compound, 3-hydroxy-N-methylpyrrolidone, is effective as a transdermal enhancer for the absorption of drugs through the skin of humans and animals. The 3-hydroxy-N-methylpyrrolidone is prepared from delta-butyrolactone which is converted to methyl 2,4-dibromobutyrate, this intermediate is reacted with methylamine to form N-methyl-2,4-dibromobutyramide, this intermediate is converted to 3-bromo-N-methyl-2-pyrrolidone by ring closure, and the 3-bromo-N-methyl-2-pyrrolidone is reacted with an alkaline earth metal carbonate or alkaline metal carbonate to form 3-hydroxy-N-methyl-2-pyrrolidone.

  这种新型化合物3-羟基-N-甲基吡咯烷酮，对于促进药物通过人和动物皮肤的渗透吸收非常有效。3-羟基-N-甲基吡咯烷酮是由三丁基内酯制备而来，将三丁基内酯转化为2,4-二溴丁酸甲酯，再将其与甲胺反应形成N-甲基-2,4-二溴丁酰胺，将其通过环合反应转化为3-溴-N-甲基-2-吡咯酮，最后将3-溴-N-甲基-2-吡咯酮与碱土金属碳酸盐或碱金属碳酸盐反应形成3-羟基-N-甲基-2-吡咯酮。
• Hair Processing Agent And Method For Permanent Waving Hair
  申请人：Shibuya Akira

  公开号：US20080085251A1

  公开（公告）日：2008-04-10

  Provided are hair processing agents capable of permanent waving hair even at a neutral to weakly acidic pH range that causes less irritation to the skin, and hair processing agents in which an unpleasant odor is masked. Hair processing agents contain at least one compound represented by the formula (2). Hair processing agents contain a compound of the formula (2) and at least one compound (ii) selected from thioglycolic acid, thiolactic acid, cysteine, acetylcysteine, cysteamine, acylcysteamine, salts thereof and ester derivatives thereof. Hair processing agents contain a compound of the formula (2), a surfactant and water, and are emulsified. Hair processing agents contain a compound of the formula (2) and a specific perfume. wherein X is a structure selected from —O—, —S—, —NH— and —NR 1 —; R 1 is an alkyl group of 1 to 6 carbon atoms; Y is an oxygen atom or a sulfur atom; in the formula (1), Z is a divalent organic residue having at least one mercapto group; in the formula (2), R is a divalent organic residue optionally having a mercapto group; and R 2 is a hydrogen atom or an alkyl group of 1 to 6 carbon atoms.

  提供了能够在中性至微酸性pH范围内进行永久性卷发的头发处理剂，其对皮肤刺激较小，并且掩盖了不愉快的气味。头发处理剂包含至少一种由公式（2）表示的化合物。头发处理剂包含公式（2）的化合物和至少一种从巯基乙酸，巯基乳酸，半胱氨酸，乙酰半胱氨酸，半胱氨醇，酰基半胱氨醇，其盐和酯衍生物中选择的化合物（ii）。头发处理剂包含公式（2）的化合物，表面活性剂和水，并且是乳化的。头发处理剂包含公式（2）的化合物和特定香水。其中X是从-O-，-S-，-NH-和-NR1-选择的结构；R1是1到6个碳原子的烷基；Y是氧原子或硫原子；在公式（1）中，Z是具有至少一个巯基的二价有机残基；在公式（2）中，R是二价的有机残基，可选地具有巯基；R2是氢原子或1到6个碳原子的烷基。