3-ethyl-hexan-2-one | 6137-05-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-ethyl-hexan-2-one
• 英文别名: 3-Aethyl-hexan-2-on；3-Ethylhexan-2-one
• CAS: 6137-05-9
• 化学式: C₈H₁₆O
• 分子量: 128.214
• InChiKey: NSYLUOVMDCLUAK-UHFFFAOYSA-N

物化性质

• 沸点：
  157.5-158.5 °C(Press: 761 Torr)
• 密度：
  0.811±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3-ethyl-hexan-2-one 生成 3-ethyl-hexan-2-one semicarbazone
  参考文献：
  名称：

  264.在烯烃系统中的α-亚甲基反应性。第四部分 二氯化物的结构是由氯化锡催化的三甲基乙烯聚合形成的。异构甲基己基酮的合成与表征

  摘要：

  DOI：

  10.1039/jr9500001302
• 作为产物：
  描述：

  Alpha-乙基戊酸 在 copper(l) iodide 、 氯化亚砜 作用下， 反应 0.25h， 生成 3-ethyl-hexan-2-one
  参考文献：
  名称：

  Kirmse, Wolfgang; Loosen, Karin; Prolingheuer, Ernst-Christoph, Chemische Berichte, 1980, vol. 113, # 1, p. 129 - 141

  摘要：

  DOI：

文献信息

• Process for producing 4,4,4,- trifluoro-3-hydroxybutyric acid
  申请人：CENTRAL GLASS COMPANY, LIMITED

  公开号：US20030088095A1

  公开（公告）日：2003-05-08

  A first process for producing an optically active perfluoroalkylcarbinol derivative includes (a) reacting an optically active imine with a compound that is a hemiacetal of a perfluoroalkylaldehyde or a hydrate of a perfluoroalkylaldehyde to obtain a condensate; and (b) hydrolyzing the condensate under an acid condition. A second process for increasing optical purity of an optically active 4,4,4-trifluoro 3-hydroxy-1-aryl-1-butanone derivative includes (a) precipitating a racemic crystal of the derivative, from the derivative; and (b) removing the racemic crystal from the derivative. A third process for increasing optical purity of the butanone derivative includes recrystallizing the derivative. Novel compounds are optically active and inactive 4,4,4-trifluoro-3-hydroxybutanoic aryl ester derivatives. A fourth process for producing an optically active or optically inactive 4,4,4-trifluoro-3-hydroxybutyric acid aryl ester derivative includes oxidizing an optically active or optically inactive 4,4,4-trifluoro-3-hydroxy-1-aryl-1-butanone derivative. A fifth process for increasing optical purity of the optically active aryl ester derivative includes recrystallizing the derivative. A sixth process for producing an optically active 4,4,4-trifluoro-1,3-butanediol includes reducing the optically active aryl ester derivative by a hydride. A seventh process for producing an optically active or inactive 4,4,4-trifluoro-3-hydroxybutyric acid alkyl ester derivative includes reacting under an acid condition the optically active or optically inactive aryl ester derivative with a lower alcohol. It is possible to suitably combine at least two of the first to seventh processes.

  生产光学活性全氟烷基羟基甲基醇衍生物的第一种方法包括（a）将光学活性亚胺与半乙醇的全氟烷基醛或全氟烷基醛的水合物反应，以获得缩合物; （b）在酸性条件下水解缩合物。增加光学纯度的光学活性4,4,4-三氟-3-羟基-1-芳基-1-丁酮衍生物的第二种方法包括（a）从该衍生物中沉淀出外消旋晶体; （b）将外消旋晶体从衍生物中去除。增加丁酮衍生物光学纯度的第三种方法包括重结晶该衍生物。新化合物是光学活性和非活性的4,4,4-三氟-3-羟基丁酸芳基酯衍生物。生产光学活性或非活性的4,4,4-三氟-3-羟基丁酸芳基酯衍生物的第四种方法包括将光学活性或非活性的4,4,4-三氟-3-羟基-1-芳基-1-丁酮衍生物氧化。增加光学活性芳基酯衍生物光学纯度的第五种方法包括重结晶该衍生物。生产光学活性4,4,4-三氟-1,3-丁二醇的第六种方法包括通过氢化还原光学活性芳基酯衍生物。生产光学活性或非活性的4,4,4-三氟-3-羟基丁酸烷基酯衍生物的第七种方法包括在酸性条件下将光学活性或非活性的芳基酯衍生物与低级醇反应。可以适当地组合第一至第七种方法中的至少两种方法。
• Process for producing 4,4,4-trifluoro-3-hydroxybutyric acid derivatives
  申请人：——

  公开号：US20020016511A1

  公开（公告）日：2002-02-07

  A first process for producing an optically active perfluoroalkylcarbinol derivative includes (a) reacting an optically active imine with a compound that is a hemiacetal of a perfluoroalkylaldehyde or a hydrate of a perfluoroalkylaldehyde to obtain a condensate; and (b) hydrolyzing the condensate under an acid condition. A second process for increasing optical purity of an optically active 4,4,4-trifluoro-3-hydroxy-1-aryl-1-butanone derivative includes (a) precipitating a racemic crystal of the derivative, from the derivative; and (b) removing the racemic crystal from the derivative. A third process for increasing optical purity of the butanone derivative includes recrystallizing the derivative. Novel compounds are optically active and inactive 4,4,4-trifluoro-3-hydroxybutanoic aryl ester derivatives. A fourth process for producing an optically active or optically inactive 4,4,4-trifluoro-3-hydroxybutyric acid aryl ester derivative includes oxidizing an optically active or optically inactive 4,4,4-trifluoro-3-hydroxy-1-aryl-1-butanone derivative. A fifth process for increasing optical purity of the optically active aryl ester derivative includes recrystallizing the derivative. A sixth process for producing an optically active 4,4,4-trifluoro-1,3-butanediol includes reducing the optically active aryl ester derivative by a hydride. A seventh process for producing an optically active or inactive 4,4,4-trifluoro-3-hydroxybutyric acid alkyl ester derivative includes reacting under an acid condition the optically active or optically inactive aryl ester derivative with a lower alcohol. It is possible to suitably combine at least two of the first to seventh processes.

  生产光学活性全氟烷基醇衍生物的第一种方法包括：(a)将光学活性亚胺与半缩醛全氟烷基醛的半缩醛化合物或全氟烷基醛的水合物反应，获得缩合物；(b)在酸性条件下水解缩合物。第二种提高光学活性4,4,4-三氟-3-羟基-1-芳基-1-丁酮衍生物光学纯度的方法包括：(a)从该衍生物中沉淀出一个外消旋晶体；(b)将外消旋晶体从该衍生物中移除。第三种提高丁酮衍生物光学纯度的方法包括重结晶该衍生物。新化合物包括光学活性和非活性的4,4,4-三氟-3-羟基丁酸芳基酯衍生物。第四种生产光学活性或非活性4,4,4-三氟-3-羟基丁酸芳基酯衍生物的方法包括氧化光学活性或非活性的4,4,4-三氟-3-羟基-1-芳基-1-丁酮衍生物。第五种提高光学活性芳基酯衍生物光学纯度的方法包括重结晶该衍生物。第六种生产光学活性4,4,4-三氟-1,3-丁二醇的方法包括通过氢化还原光学活性芳基酯衍生物。第七种生产光学活性或非活性4,4,4-三氟-3-羟基丁酸烷基酯衍生物的方法包括在酸性条件下将光学活性或非活性芳基酯衍生物与低级醇反应。可以适当地结合第一到第七种方法中的至少两种方法。
• Nitrogen-Containing Fused Heterocyclic Compounds and Their use as Beta Amyloid Production Inhibitors
  申请人：Kitazawa Noritaka

  公开号：US20120053171A1

  公开（公告）日：2012-03-01

  A compound represented by the formula [I]: or a pharmacologically acceptable salt or ester thereof, wherein Ring A represents a five-membered aromatic heterocyclic group or the like fused with a non-aromatic ring group, which may be substituted, Ring B represents a phenyl group or the like which may be substituted, X1 represents a single bond or the like, R1 and R2 each represent a C1-6 alkyl group or the like, m represents an integer of 0 to 3, and n represents an integer of 0 to 2, is effective as a therapeutic agent for a disease caused by Aβ.

  化合物的化学式为[I]，或其药理学上可接受的盐或酯，其中环A代表一个五元芳香杂环基团或类似物，与非芳香环基团融合，可以被取代，环B代表苯基或类似物，可以被取代，X1代表单键或类似物，R1和R2各代表C1-6烷基或类似物，m代表0至3的整数，n代表0至2的整数，该化合物对由Aβ引起的疾病具有治疗作用。
• Condensation polymers for antimicrobial applications
  申请人：International Business Machines Corporation

  公开号：US10023697B2

  公开（公告）日：2018-07-17

  A number of cationic antimicrobial polymers have been synthesized by a condensation polymerization in bulk. The initial polymer formed has backbone tertiary nitrogens, which are subsequently quaternized using a suitable quaternizing agent (e.g., alkyl halide). The cationic polymers include polyamides, polycarbonates, polypolyureas and polyguanidiniums having a cationic repeat unit comprising the quaternary ammonium nitrogen as a backbone nitrogen. The cationic polymers can be active against Gram-negative, Gram-positive microbes, and/or fungi.

  许多阳离子抗菌聚合物都是通过缩合聚合反应合成的。最初形成的聚合物具有骨架叔硝基，随后使用适当的季铵化剂（如烷基卤化物）对其进行季铵化。阳离子聚合物包括聚酰胺、聚碳酸酯、聚聚脲和聚胍，其阳离子重复单元包括作为骨架氮的季铵态氮。阳离子聚合物可对革兰氏阴性、革兰氏阳性微生物和/或真菌具有活性。
• Gelin,R. et al., Bulletin de la Societe Chimique de France, 1973, p. 2153 - 2158
  作者：Gelin,R. et al.

  DOI：——

  日期：——