5-hydroxy-2,2,5,6,6-pentamethylheptan-3-one | 3205-30-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5-hydroxy-2,2,5,6,6-pentamethylheptan-3-one
• 英文别名: 5-Hydroxy-2,2,5,6,6-pentamethyl-heptan-3-on；2.2.3.6.6-Pentamethyl-heptanol-(3)-on-(5)
• CAS: 3205-30-9
• 化学式: C₁₂H₂₄O₂
• 分子量: 200.321
• InChiKey: MVXQRCHYGBJBMO-UHFFFAOYSA-N

物化性质

• 沸点：
  106 °C(Press: 15 Torr)
• 密度：
  0.8971 g/cm3(Temp: 22 °C)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2914400090

反应信息

• 作为反应物：
  描述：

  5-hydroxy-2,2,5,6,6-pentamethylheptan-3-one 在 potassium permanganate 、 草酸 作用下， 生成 三甲基乙酸
  参考文献：
  名称：

  Tolstopjatow, Zhurnal Russkago Fiziko-Khimicheskago Obshchestva, 1930, vol. 62, p. 1813,1820

  摘要：

  DOI：
• 作为产物：
  描述：

  频哪酮 生成 5-hydroxy-2,2,5,6,6-pentamethylheptan-3-one
  参考文献：
  名称：

  空间位阻酮中的甲基铝烯醇盐和酮醇盐

  摘要：

  1,1,1-三苯丙酮和叔丁基甲基酮都被三甲基铝烯醇化，但是产物的类型及其后续反应却大不相同。

  DOI：

  10.1016/s0022-328x(00)89525-x

文献信息

• Differences in Frequency of the Deletion Polymorphism of the Angiotensin-Converting Enzyme Gene in Different Ethnic Groups
  作者：James Mathew、Khaja Basheeruddin、Suresha Prabhakar

  DOI：10.1177/000331970105200602

  日期：2001.6

  A polymorphism characterized by the insertion or deletion of a 287-bp Alu repeat sequence in intron 16 of the angiotensin-converting enzyme gene determines about half the serum angiotensin-converting enzyme level variability among individuals. The deletion polymorphism is associated with higher levels of angiotensin-converting enzyme and perhaps with a greater risk of cardiovascular diseases. The relative frequency of this genetic polymorphism in different ethnic groups is not known. The objective of this study was to compare the frequency of angiotensin-converting enzyme gene insertion/deletion polymorphism in different ethnic groups. Angiotensin-converting enzyme genotype was determined in middle-aged healthy hospital workers of three different ethnic origins (African Americans, whites, and Indians). There were 142 African Americans, 136 Indians, and 82 whites. The distribution of the deletion-deletion, insertion-deletion, and insertion-insertion genotypes in African Americans (29%, 60%, and 11 %, respectively), Indians (19%, 50%, and 31 %, respectively) and whites (29%, 40%, and 31 %, respectively) was significantly different (p = < 0.005). The frequency of the deletion allele among African Americans, Indians, and whites (0.59, 0.49, and 0.44, respectively) was also significantly different (p = 0.05). African Americans had the highest frequency of deletion allele and the lowest frequency of the insertion-insertion genotype among the three groups. The frequency of the deletion polymorphism of the angiotensin-converting enzyme gene is different among African Americans, whites, and Indians. This may be important in relation to the high risk of cardiovascular morbidity and mortality in African Americans and may be relevant in explaining differences in cardiovascular diseases in different populations. This finding also emphasizes the importance of studying angiotensin-converting enzyme gene polymorphism in genetically homogenous populations. Because of the small size of this study, however, these findings need further confirmation.

  一种多态性特征，由血管紧张素转换酶基因内含子16中的287-bp Alu重复序列的插入或缺失决定了个体间大约一半血清血管紧张素转换酶水平的变异性。缺失多态性与更高水平的血管紧张素转换酶以及可能更高的心血管疾病风险相关联。不同种族群体中这种遗传多态性的相对频率尚不清楚。本研究的目的是比较不同种族群体中血管紧张素转换酶基因插入/缺失多态性的频率。在三个不同种族起源（非裔美国人、白人和印第安人）的中年健康医院工作者中确定了血管紧张素转换酶基因型。有142名非裔美国人、136名印第安人和82名白人。非裔美国人（分别为29％、60％和11％）、印第安人（分别为19％、50％和31％）和白人（分别为29％、40％和31％）的缺失-缺失、插入-缺失和插入-插入基因型的分布显著不同（p = <0.005）。非裔美国人、印第安人和白人的缺失等位基因频率（分别为0.59、0.49和0.44）也显著不同（p = 0.05）。非裔美国人的缺失等位基因频率最高，插入-插入基因型频率最低。血管紧张素转换酶基因的缺失多态性在非裔美国人、白人和印第安人中不同。这可能与非裔美国人心血管发病率和死亡率高的情况相关，并可能有助于解释不同人群心血管疾病的差异。这一发现也强调了在遗传同质人群中研究血管紧张素转换酶基因多态性的重要性。然而，由于本研究规模较小，这些发现需要进一步确认。
• Grignard Compounds as Condensing Agents
  作者：W. J. HICKINBOTTOM、E. SCHLÜCHTERER

  DOI：10.1038/155019a0

  日期：1945.1

  IT is already known that Grignard compounds may act as reducing agents1,2, or cause enolization of ketones3,4, or bring about the condensation of esters of some fatty acids to β-keto-esters. The present communication records some observations on the condensation of ketones during the Grignard reaction.

  众所周知，格氏化合物可作为还原剂 1,2，或引起酮的烯醇化 3,4，或使某些脂肪酸的酯缩合为 β-酮酯。本通讯记录了对格氏反应过程中酮缩合的一些观察结果。
• Bis(amido)magnesium mediated aldol additions: first structural characterisation of an amidomagnesium aldolate intermediate
  作者：John F. Allan、Kenneth W. Henderson、Alan R. Kennedy

  DOI：10.1039/a903784e

  日期：——

  Bis(hexamethyldisilazido)magnesium has successfully been used to mediate aldol additions of selected ketones and aldehydes in hydrocarbon media, and the structure of an intermediate amido(aldolate), [(Me3Si)2NMg[µ-OC(Me)- ButCH2C(But)=O]}2] 17, produced by the self-coupled reaction of pinacolone has been characterised by X-ray crystallography.

  双(六甲基二硅氮烷)镁已成功用于在碳氢介质中促进选定的酮和醛的羟醛加成反应，并且通过联烯酮的自偶联反应生成的中介氨基(醛缩醇)结构，[(Me3Si)2NMg[μ-OC(Me)-ButCH2C(But)=O]}2] 17，其结构通过X射线晶体学进行了表征。
• A Highly Stereoselective, Efficient, and Scalable Synthesis of the C(1)–C(9) Fragment of the Epothilones
  作者：Corinne N. Foley、James L. Leighton

  DOI：10.1021/acs.orglett.5b03034

  日期：2015.12.4

  second-generation synthesis of the C(1)–C(9) fragment of the epothilones is reported. The key tandem intramolecular silylformylation/crotylsilylation/“aprotic” Tamao oxidation sequence has been redeveloped as a stepwise intermolecular variant, allowing excellent levels of diastereoselectivity in the crotylation step and proceeds in 50% overall yield on gram scale. An improved synthesis of the homopropargyl

  报道了埃博霉素的C（1）–C（9）片段的第二代合成。关键的串联分子内甲硅烷基甲酰化/巴豆基甲硅烷基化/“非质子” Tamoo氧化顺序已被重新开发为逐步的分子间变体，从而在巴甲酰化步骤中具有极佳的非对映选择性，并以克级计获得了50％的总收率。还描述了高炔丙醇起始原料的改进的合成，其从廉价的起始原料开始以四个步骤进行，并且ee＞ 99％，并且适合于多克规模。
• Colonge; Grenet, Bulletin de la Societe Chimique de France, 1954, p. 1304,1307
  作者：Colonge、Grenet

  DOI：——

  日期：——