2-methyl-N,N-bis(2-methylpropyl)propanamide | 24928-49-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-methyl-N,N-bis(2-methylpropyl)propanamide
• CAS: 24928-49-2
• 化学式: C₁₂H₂₅NO
• mdl: MFCD03382978
• 分子量: 199.337
• InChiKey: BJXURAWLTZJZKD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.916
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  bis(benzoyltrifluoroacetonate)uranyl(VI) dihydrate 、 2-methyl-N,N-bis(2-methylpropyl)propanamide 以 氯仿 为溶剂， 以92%的产率得到
  参考文献：
  名称：

  Coordination and separation studies of the uranyl ion with iso-butyramide based ligands: Synthesis and structures of [UO2(NO3)2(iC3H7CON{iC4H9}2)2] and [UO2(C6H5COCHCOC6H5)2(iC3H7CON{iC3H7}2)]

  摘要：

  The coordination chemistry of iso-butyramide based ligands such as: (C3H7CON)-C-i((C3H7)-C-i)(2), (C3H7CON)-C-i(C4H9)(2) and (C3H7CON)-C-i((C4H9)-C-i)(2) with [UO2(NO3)(2) center dot 6H(2)O], [UO2(OO)(2) center dot 2H(2)O] {where OO = C4H3SCOCHCCCF3 (TTA), C6H5COCHCOCF3 (BTA) and C6H5COCHCOC6H5 (DBM)), [Th(NO3)(4) center dot 6H(2)O] and [La(NO3)(3) center dot 6H(2)O] has been evaluated. Structures for the compounds [UO2(NO3)(2)CC3H7CON{(C4H9)-C-i}(2))(2)] and [UO2(C6H5COCHCOC6H5)(2)((C3H7CON)-C-i{(C3H7)-C-i)(2))] have been determined by single crystal X-ray diffraction methods. Preliminary separation studies from nitric acid medium using the amide (C3H7CON)-C-i((C4H9)-C-i)(2) with U(VI), Th(IV) and La(Ill) ions showed the selective precipitation of uranyl ion from the mixture. Thermal study of the compound [UO2(NO3)(2)((C3H7CON)-C-i((C4H9)-C-i)(2))(2)] in air revealed that the ligands can be destroyed completely on incineration. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2008.05.010
• 作为产物：
  描述：

  二异丁胺 、 Isobutyric acid 2,4-dinitro-phenyl ester 以 乙腈 为溶剂， 生成 2,4-二硝基苯酚(1-) 、 2-methyl-N,N-bis(2-methylpropyl)propanamide
  参考文献：
  名称：

  苯乙酸芳基酯与仲胺在 MeCN 中的反应。乙烯酮形成消除和 E2 和 E1cb 并发机制中的结构 - 反应性关系

  摘要：

  已经对 MeCN 中由 R2NH 促进的芳基乙酸 1 和 2 的芳基酯的消除反应进行了动力学研究。反应是二级反应，表现出 β = 0.44−0.84，|βlg| = 0.41−0.50，ρH = 2.0−3.6。布朗斯台德β和|βlg| β-芳基取代基的吸电子能力降低。Hammett ρH 值几乎保持不变，但 |βlg| 值随着基础强度变弱而增加。随着离去基团从 4-硝基苯氧基变为 2,4-二硝基苯氧基，ρH 和 β 均降低。结果与 E2 机制和具有对应于质子转移的大水平分量的反应坐标一致。当碱-溶剂系统从 R2NH-MeCN 变为 R2NH/R2NH2+-70 mol % MeCN(aq) 时，Bronsted β、ρH 和 |βlg| 减少。最后，

  DOI：

  10.1021/ja961294k

文献信息

• PRODRUGS OF NH-ACIDIC COMPOUNDS: ESTER, CARBONATE, CARBAMATE AND PHOSPHONATE DERIVATIVES
  申请人：Blumberg Laura Cook

  公开号：US20110319422A1

  公开（公告）日：2011-12-29

  The invention provides a method of sustained delivery of a lactam, imide, amide, sulfonamide, carbamate or urea containing parent drug by administering to a patient an effective amount of a prodrug compound of the invention wherein upon administration to the patient, release of the parent drug from the prodrug is sustained release. Prodrug compounds suitable for use in the methods of the invention are labile conjugates of parent drugs that are derivatized through carbonyl linked prodrug moieties. The prodrug compounds of the invention can be used to treat any condition for which the lactam, imide, amide, sulfonamide, carbamate or urea containing parent drug is useful as a treatment.

  该发明提供了一种持续释放内酰胺、亚酰胺、酰胺、磺胺、碳酸酯或尿素含有母药的方法，通过向患者施用该发明的一种前药化合物的有效量，在向患者施用后，从前药中释放母药是持续释放的。适用于该发明方法的前药化合物是母药的不稳定结合物，通过羰基连接的前药基团进行衍生化。该发明的前药化合物可用于治疗任何需要内酰胺、亚酰胺、酰胺、磺胺、碳酸酯或尿素含有母药作为治疗的情况。
• Pd(II)-Catalyzed Chemoselective Acetoxylation of C(sp²)–H and C(sp³)–H Bonds in Tertiary Amides
  作者：Muniyappa Vijaykumar、Benudhar Punji

  DOI：10.1021/acs.joc.1c00629

  日期：2021.6.18

  Palladium-catalyzed chemoselective C(sp2)–H and C(sp3)–H acetoxylation of synthetically useful tertiary amides is reported under relatively mild reaction conditions. This protocol proceeds through the assistance of a weakly coordinated directing group (C═O) and requires low catalyst (1.0 mol %) loading. Diverse functionalities, such as C(sp2)–Cl, C(sp3)–Cl, −CF3, −COOEt, and −NO2 groups, including

  据报道，在相对温和的反应条件下，钯催化的化学选择性 C(sp 2 )–H 和 C(sp 3 )–H 乙酰氧基化合成有用的叔酰胺。该协议通过弱配位的导向基团 (C=O) 进行，并且需要低催化剂 (1.0 mol%) 负载。多种功能，例如 C(sp 2 )–Cl、C(sp 3 )–Cl、-CF 3、-COOEt 和-NO 2包括吗啉基、哌嗪基和吡咯烷基杂环在内的基团在反应条件下是相容的。该协议的进一步功能化通过水解为醇、醇酸以及还原为叔胺来证明。初步的动力学同位素效应研究支持限速 C-H 键活化过程。
• Versatile new uranyl(vi) dihalide complexes supported by tunable organic amide ligands
  作者：Shanmugaperumal Kannan、Charles L. Barnes、Paul B. Duval

  DOI：10.1039/b512966d

  日期：——

  A series of uranyl(VI) dihalide complexes UO2X2L2 (X = Cl, Br) supported by organic amide ligands (L = R′C(O)NR2; R′ = i-Pr; R = i-Pr, i-Bu, s-Bu) offers the versatile combination of facile synthesis using benchtop methods, air-stable crystalline solids obtained in high yield, high solubility in common organic solvents and tunable steric/electronic properties.

  一系列有机酰胺配体支持的二卤化铀酰 (VI) 配合物 UO2X2L2 (X = Cl, Br) (L = R′C(O)NR2; R′ = i-Pr; R = i-Pr, i-Bu, s-Bu) 提供了使用台式方法进行简便合成、高产率获得的空气稳定结晶固体、在常见有机溶剂中的高溶解度以及可调节的空间/电子性质的多功能组合。
• Substituted pyrazoles as p38 kinase inhibitors
  申请人：Naraian S. Ashok

  公开号：US20070078146A1

  公开（公告）日：2007-04-05

  A class of pyrazole derivatives is described for use in treating p38 kinase medicated disorders. Compounds of particular interest are defined by Formula IA wherein R 1 , R 2 , R 3 and R 4 are as described in the specification.

  描述了一类吡唑衍生物，用于治疗p38激酶介导的疾病。特别感兴趣的化合物由公式IA定义，其中R1、R2、R3和R4如规范中所述。
• Prodrugs of NH-Acidic Compounds: Ester, Carbonate, Carbamate and Phosphonate Derivatives
  申请人：Alkermes Pharma Ireland Limited

  公开号：US20150320875A1

  公开（公告）日：2015-11-12

  The invention provides a method of sustained delivery of a lactam, imide, amide, sulfonamide, carbamate or urea containing parent drug by administering to a patient an effective amount of a prodrug compound of the invention wherein upon administration to the patient, release of the parent drug from the prodrug is sustained release. Prodrug compounds suitable for use in the methods of the invention are labile conjugates of parent drugs that are derivatized through carbonyl linked prodrug moieties. The prodrug compounds of the invention can be used to treat any condition for which the lactam, imide, amide, sulfonamide, carbamate or urea containing parent drug is useful as a treatment.

  本发明提供了一种持续释放内酰胺、亚胺、酰胺、磺酰胺、氨基甲酸酯或尿素含量的母药的方法，通过向患者施用本发明的前药化合物的有效量，在患者体内释放母药的速率是持续释放的。适用于本发明方法的前药化合物是通过羰基偶联的前药基团衍生的母药的不稳定结合物。本发明的前药化合物可用于治疗任何需要内酰胺、亚胺、酰胺、磺酰胺、氨基甲酸酯或尿素含量的母药治疗的疾病。