pentan-3-yl 2-methylpropanoate | 18599-01-4

• 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: pentan-3-yl 2-methylpropanoate
• 英文别名: 3-pentyl 2-methylpropanoate；3-pentyl 2-methylpropionate；3-pentyl-2-methylpropionate；2-Methyl-propionsaeure-3-pentylester
• CAS: 18599-01-4
• 化学式: C₉H₁₈O₂
• 分子量: 158.241
• InChiKey: GADXZGHRVFDIPV-UHFFFAOYSA-N

物化性质

• 沸点：
  165.2±8.0 °C(Predicted)
• 密度：
  0.872±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  11
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 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：

  pentan-3-yl 2-methylpropanoate 以 异辛烷 为溶剂， 生成 二甲基乙烯酮 、 3-戊醇
  参考文献：
  名称：

  Donohoe, Geraldine; Satchell, Derek P. N.; Satchell, Rosemary S., Journal of the Chemical Society. Perkin transactions II, 1990, # 10, p. 1671 - 1674

  摘要：

  DOI：
• 作为产物：
  描述：

  二甲基乙烯酮 、 3-戊醇 以 异辛烷 为溶剂， 生成 pentan-3-yl 2-methylpropanoate
  参考文献：
  名称：

  Donohoe, Geraldine; Satchell, Derek P. N.; Satchell, Rosemary S., Journal of the Chemical Society. Perkin transactions II, 1990, # 10, p. 1671 - 1674

  摘要：

  DOI：

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。
• Studies aimed at enhancement of reactivity and enantioselectivity of a lithium ester enolate using a chiral tridentate lithium amide
  作者：Mostafa Ahmed Hussein、Akira Iida、Kiyoshi Tomioka

  DOI：10.1016/s0040-4020(99)00644-4

  日期：1999.9

  chiral amines 7–13 mediated the asymmetric condensation reaction of lithium ester enolate 2 with benzaldehyde p-anisidine imine 3 giving the corresponding β-lactam 4 in up to 75% ee. It became apparent that coexistence of 2 and chiral lithium amides derived from 7–13 is an important factor for the enhancement of the reactivity and enantioselectivity of 2.

  三齿手性胺7-13介导了烯醇锂酯2与苯甲醛对茴香胺亚胺3的不对称缩合反应，从而在75％ee内产生相应的β-内酰胺4。它变得明显的共存2个衍生自和手性氨基化锂7-13为的反应性和对映选择性的的提高的一个重要因素2。
• Catalytic asymmetric reaction of lithium ester enolates with imines
  作者：Kiyoshi Tomioka、Mostafa Ahmed Hussein、Takeshi Kambara、Hiroki Fujieda、Satoko Hayashi、Yumiko Nomura、Motomu Kanai、Kenji Koga

  DOI：10.1039/a901424a

  日期：——

  An external chiral tridentate amino diether ligand 7 catalyzed the condensation reaction of a lithium ester enolate 2 with an imine 3 to give the enantiomerically enriched β-lactam 4 in high yield.

  外部的手性三叉氨基二醚配体 7 催化了锂酯烯醇 2 与亚胺 3 的缩合反应，从而以高产率得到了对映体富集的 β-内酰胺 4。
• [EN] PROCESS FOR THE PREPARATION OF ACYLATED SECONDARY ALCOHOL ALKOXYLATES AND SECONDARY ALCOHOL ALKOXYLATES<br/>[FR] PROCÉDÉ DE PRÉPARATION D'ALCOXYLATES D'ALCOOLS SECONDAIRES ACYLÉS ET ALCOXYLATES D'ALCOOLS SECONDAIRES
  申请人：SHELL INT RESEARCH

  公开号：WO2010049465A1

  公开（公告）日：2010-05-06

  A process for the preparation of acylated secondary alcohol alkoxylates, said process comprising : (i) reaction of one or more internal olefins with one or more carboxylic acids in the presence of a catalyst composition in order to form one or more carboxylic acid esters; (ii) reaction of one or more carboxylic acid esters from step (i) with one or more alkylene oxide reactants, in the presence of a catalytically effective amount of a catalyst composition comprising: (a) one or more alkaline earth metal salts of carboxylic and/or hydroxycarboxylic acids and/or hydrates of the former; (b) an oxy-acid selected from sulphuric acid and ortho-phosphoric acid; (c) an alcohol and/or an ester; and/or products of the reciprocal reactions of (a), (b) and/or (c) in order to form one or more acylated secondary alcohol alkoxylates; and optionally (iii) hydrolysis or transesterification of one or more acylated secondary alcohol alkoxylates from step (ii) in order to form one or more secondary alcohol alkoxylates; and a process for making secondary alcohol alkoxy sulphates comprising the steps of: preparing secondary alcohol alkoxylates by the afore-mentioned process; and sulphating the secondary alcohol alkoxylates.

  一种制备酰化二次醇烷氧基化物的方法，该方法包括：（i）在催化剂组成物的存在下，将一种或多种内部烯烃与一种或多种羧酸反应，以形成一种或多种羧酸酯；（ii）在催化剂组成物的存在下，将步骤（i）中的一种或多种羧酸酯与一种或多种烷基氧化物反应，其中催化剂组成物包括：（a）一种或多种碱土金属羧酸和/或羟基羧酸盐和/或其水合物；（b）从硫酸和正磷酸中选择的氧酸；（c）一种醇和/或一种酯和/或（a），（b）和/或（c）的互反作用产物，以形成一种或多种酰化二次醇烷氧基化物；可选地（iii）水解或酯交换步骤，以形成一种或多种二次醇烷氧基化物。制备二次醇烷氧基硫酸盐的方法包括以下步骤：通过上述方法制备二次醇烷氧基化物；并对二次醇烷氧基化物进行硫酸化。
• Controlling Factors in Chiral Bisoxazoline-Catalyzed Asymmetric Lithium Ester Enolate-Imine Condensation Producing a .BETA.-Lactam.
  作者：Takeshi KAMBARA、Kiyoshi TOMIOKA

  DOI：10.1248/cpb.48.1577

  日期：——

  A catalytic amount of external chiral bisoxazoline ligand 3a bearing an isopropyl group as a stereocontrolling group catalyzed a reaction of a lithium ester enolate 4b, generated from 3-pentyl 2-methylpropionate, with benzaldehyde anisidine-imine 5 to afford corresponding beta-lactam 6 in higher 70% ee than that obtained by the reaction using a stoichiometric amount of the ligand. A bulkier ligand

  催化量的带有异丙基作为立体控制基团的外部手性双恶唑啉配体3a催化了由2-甲基丙酸3-戊酯生成的烯酸酯锂4b与苯甲醛茴香胺-亚胺5的反应，从而得到相应的β-内酰胺6比使用化学计量的配体通过反应获得的ee高70％ee。带有苯基的较大的配体3d在化学计量和催化反应中分别得到81％和6％的ee。对各种因素的研究表明，混合骨料参与了反应。提出了用于预测不对称感应感的工作模型。