2-甲氧基戊-3-酮 | 17042-18-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2-甲氧基戊-3-酮
• 中文别名: 2-甲氧基戊烷-3-酮
• 英文名称: 2-methoxy-3-pentanone
• 英文别名: 2-methoxy-pentan-3-one；2-Methoxy-pentan-3-on；α-Methoxy-diaethylketon；2-methoxy pentane-3-one；2-methoxypentane-3-one；2-Methoxypentan-3-one
• CAS: 17042-18-1
• 化学式: C₆H₁₂O₂
• 分子量: 116.16
• InChiKey: WLBNTABJGHRBQH-UHFFFAOYSA-N

物化性质

• 沸点：
  154-155 °C(Press: 746 Torr)
• 密度：
  0.8965 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  8
• 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：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-甲氧基戊-3-酮 、 三甲基碘化亚砜 在 sodium hydride 作用下， 以 二甲基亚砜 为溶剂， 生成 2-ethyl-2-(1-methoxyethyl)-oxirane
  参考文献：
  名称：

  Complexes of cyclic polyaza chelators with cations of alkaline earth metals for enhanced biological activity

  摘要：

  具有高亲和力和特异性的环状多氮螯合剂，当与碱土金属阳离子的络合物一起给药时，表现出生物活性的意外改善，其中以Ca(II)和Mg(II)的络合物最为显著，尤其是Ca(II)。由于这种改善，这些络合物在治疗病理条件，包括缺血和缺血再灌注损伤方面特别有效。

  公开号：

  US20050112066A1
• 作为产物：
  描述：

  2-methylthio-3-pentanone-N,N-dimethyl hydrazone 在 mercury dichloride 、 copper dichloride 作用下， 生成 2-甲氧基戊-3-酮
  参考文献：
  名称：

  Complexes of cyclic polyaza chelators with cations of alkaline earth metals for enhanced biological activity

  摘要：

  具有高亲和力和特异性的环状多氮螯合剂，当与碱土金属阳离子的络合物一起给药时，表现出生物活性的意外改善，其中以Ca(II)和Mg(II)的络合物最为显著，尤其是Ca(II)。由于这种改善，这些络合物在治疗病理条件，包括缺血和缺血再灌注损伤方面特别有效。

  公开号：

  US20050112066A1

文献信息

• New general synthesis of α-alkoxyketones via α′-alkylation, α-alkylation and α,α′-dialkylation of α-alkoxyketimines
  作者：Filip Colpaert、Sven Mangelinckx、Maria Teresa Rocchetti、Norbert De Kimpe

  DOI：10.1039/c0ob00662a

  日期：——

  important intermediates in organic synthesis and flavor compounds in food chemistry, were synthesized by deprotonation of N-(1-alkoxy-2-propylidene)isopropylamine, prepared by condensation of the corresponding α-alkoxyacetone with isopropylamine, and subsequent reaction of the corresponding 1-azaallylic anions with alkyl halides to afford α′-alkylated, α-alkylated and α,α′-dialkylated ketimines. Hydrolysis

  α-甲氧基和α-乙氧基酮是食品化学中有机合成和香料化合物的重要中间体，是通过将相应的α-烷氧基丙酮与N-（1-烷氧基-2-亚丙基）异丙胺脱质子化反应制得的异丙胺然后，使相应的1-氮杂烯丙基阴离子与烷基卤反应，得到α'-烷基化，α-烷基化和α，α'-二烷基化的酮亚胺。亚氨基官能团的水解产生所需的取代的α-烷氧基酮。α-，α'-和α，α'-（二）烷基化化合物的比例取决于所用碱的量和烷基化试剂的性质。
• KYNURENINE PRODUCTION INHIBITOR
  申请人：Amishiro Nobuyoshi

  公开号：US20110237584A1

  公开（公告）日：2011-09-29

  Provided is a kynurenine production inhibitor comprising a nitrogen-containing heterocyclic compound represented by formula (I): (wherein R 50 and R 51 may be the same or different and each represent a hydrogen atom or the like, G 1 and G 2 may be the same or different and each represent a nitrogen atom or the like, X represents formula (III): (wherein m 1 and m 2 may be the same or different and each represent an integer of 0 or 1, Y represents an oxygen atom or the like, and R 6 and R 7 may be the same or different and each represent a hydrogen atom or the like), R 1 represents optionally substituted lower alkyl or the like, R 2 represents a hydrogen atom or the like, and R 3 represents optionally substituted lower alkyl or the like), and the like.

  提供的是一种色氨酸代谢抑制剂，包括由式(I)表示的含氮杂环化合物：（其中R50和R51可以相同也可以不同，每个代表氢原子或类似物，G1和G2可以相同也可以不同，每个代表氮原子或类似物，X表示式(III)：（其中m1和m2可以相同也可以不同，每个代表0或1的整数，Y表示氧原子或类似物，R6和R7可以相同也可以不同，每个代表氢原子或类似物），R1表示可选择地取代的低碳烷基或类似物，R2表示氢原子或类似物，R3表示可选择地取代的低碳烷基或类似物），等等。
• Conformational studies of α-substituted ketones by nuclear magnetic resonance
  作者：T. E. Gough、W. S. Lin、R. G. Woolford

  DOI：10.1139/v67-414

  日期：1967.11.1

  The nuclear magnetic resonance spectra are reported for a series of α-substituted 3-pentanones. Magnetically nonequivalent methylene hydrogens are observed whenever the substituent group is diamagnetically anisotropic. The results are discussed in terms of the possible conformations of the molecules; the most stable conformations are those with the C=O bond essentially eclipsed by the terminal methyl groups.

  报道了一系列α-取代的3-戊酮的核磁共振谱。每当取代基团是顺磁各向异性时，就会观察到磁性不等效的亚甲基氢。结果讨论了分子可能的构象；最稳定的构象是C=O键基本上被末端甲基组 eclipsed 的构象。
• Neuroprotection and cardioprotection afforded by chelators with high affinity and specificity for cations of first transition series elements
  申请人：CONCAT, LTD. a California Limited Partnership

  公开号：US20040006055A1

  公开（公告）日：2004-01-08

  Compounds that demonstrate chelation affinity and selectivity for first transition series elements are administered to patients suffering from such conditions as ischemia, prolonged seizures and trauma to provide neuroprotection, cardioprotection, or both. These compounds when administered form complexes with chelatable iron and copper cations and thereby mitigate the ability of these cations to catalyze Haber-Weiss reactions that form toxic hydroxy free radicals that cause tissue injury. These compounds also form complexes with chelatable zinc cations thereby inhibiting the cytotoxicity associated with excess chelatable zinc.

  表现出对第一过渡系列元素具有螯合亲和力和选择性的化合物被用于治疗患有缺血、持续性癫痫和创伤等疾病的患者，以提供神经保护、心脏保护或两者兼而有之。这些化合物在被给药时会与可螯合的铁和铜阳离子形成络合物，从而减轻这些阳离子催化哈伯-魏斯反应的能力，这些反应会产生导致组织损伤的有毒羟自由基。这些化合物还会与可螯合的锌阳离子形成络合物，从而抑制与过多可螯合锌相关的细胞毒性。
• Alternating copolymers of isobutylene type monomers
  申请人：——

  公开号：US20030170394A1

  公开（公告）日：2003-09-11

  A copolymer composition that includes a copolymer comprised of at least 30 mol % of residues having the following alternating residues from a donor monomer and from an acceptor monomer. The copolymer contains at least 15 mol % of an isobutylene type donor monomer and at least 15 mol % of an acrylic monomer as an acceptor monomer. The copolymer is substantially free of maleate or fumarate monomer segments and the copolymer composition is substantially free of Lewis acids and transition metals. Also disclosed is a thermosetting composition that includes a reactant comprising functional groups, a crosslinking agent having at least two functional groups that are reactive with the functional groups first reactant, and a copolymer flow control agent that includes the copolymer composition as well as substrates coated with the thermosetting composition.

  一种共聚物组成物，包括至少30摩尔％的残基的共聚物，该残基来自给体单体和受体单体的以下交替残基。 该共聚物含有至少15摩尔％的异丁烯型给体单体和至少15摩尔％的丙烯酸单体作为受体单体。 该共聚物基本上不含马来酸或富马酸单体片段，且该共聚物组成物基本上不含路易斯酸和过渡金属。 还披露了一种热固性组合物，其中包括具有功能基的反应物，具有至少两个与第一反应物中的功能基反应的交联剂，以及包括共聚物组成物的共聚物流控制剂，以及用热固性组合物涂覆的基板。