6-十六酮 | 57661-23-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 6-十六酮
• 中文别名: 6-十六烷酮
• 英文名称: hexadecan-6-one
• 英文别名: 6-Hexadecanone
• CAS: 57661-23-1
• 化学式: C₁₆H₃₂O
• mdl: MFCD00051549
• 分子量: 240.429
• InChiKey: CIAHHJXQZXLMPN-UHFFFAOYSA-N

物化性质

• 熔点：
  35-36°C
• 沸点：
  308.15°C (estimate)
• 密度：
  0.8292 (estimate)
• LogP：
  6.750 (est)
• 稳定性/保质期：

  如果按照规格使用和储存，则不会分解，未有已知危险反应。

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  17
• 可旋转键数：
  13
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.937
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 安全说明：
  S22,S24/25
• 海关编码：
  2914190090

反应信息

• 作为反应物：
  描述：

  6-十六酮 、 溴乙酸乙酯 在 甲苯 、 锌 、 苯 作用下， 生成 3-hydroxy-3-pentyl-tridecanoic acid
  参考文献：
  名称：

  Breusch; Baykut, Chemische Berichte, 1957, vol. 90, p. 526,528,531

  摘要：

  DOI：
• 作为产物：
  描述：

  1-碘癸烷 在 锌铜偶 、 乙酸乙酯 、 甲苯 作用下， 生成 6-十六酮
  参考文献：
  名称：

  Baykut; Oezeris, Istanbul Universitesi Fen Fakultesi Mecmuasi, Seri C: [Astronomi-Fizik-Kimya], 1956, vol. 21, p. 102,104,107

  摘要：

  DOI：

文献信息

• A General Approach to Intermolecular Olefin Hydroacylation through Light‐Induced HAT Initiation: An Efficient Synthesis of Long‐Chain Aliphatic Ketones and Functionalized Fatty Acids
  作者：Subhasis Paul、Joyram Guin

  DOI：10.1002/chem.202004946

  日期：2021.3

  hydroacylation protocol applies to a wide array of substrates bearing numerous functional groups and many complex structural units. The reaction proves to be scalable (up to 5 g). Different functionalized fatty acids, petrochemicals and naturally occurring alkanes can be synthesized with this protocol. A radical chain mechanism is implicated in the process.

  本文介绍了一种通过使用光诱导氢原子转移（HAT）引发对未活化底物进行分子间自由基加氢酰化的操作简单，对环境无害且有效的方法。使用可商购和廉价的光引发剂（Ph 2 CO和NHPI）使该方法具有吸引力。烯烃加氢酰化方案适用于多种带有许多官能团和许多复杂结构单元的底物。该反应证明是可扩展的（最大5 g）。可以使用该方案合成不同的官能化脂肪酸，石化产品和天然存在的烷烃。自由基链机制与该过程有关。
• Organoruthenium‐Supported Polyoxotungstate – Synthesis, Structure and Oxidation of <i>n</i> ‐Hexadecane with Air
  作者：Rui‐Qi Meng、Bin Wang、Hui‐Min Sui、Bao Li、Wei Song、Li‐Xin Wu、Bing Zhao、Li‐Hua Bi

  DOI：10.1002/ejic.201201037

  日期：2013.4

  sandwich-type structure, which is further connected by K cations to construct the 3D structures. Based on complex Ru-KNa, the compound Ru-Na was synthesized, and it consists of two Ru(C6H6)} units linked to a [W8O28(OH)2]10– fragment by three Ru–O(W) bonds to result in an assembly with idealized C2 symmetry in which the polyanions form 3D structures by the connection of Na chains. Subsequently, the compound Ru-Na

  钌配合物 KNa[Ru2(C6H6)2(CH3COO)6] (Ru-KNa) 及其多氧钨酸盐衍生物 Na6[Ru( )}2W8O28(OH)2]·16H2O (Ru-Na)成功地从常规合成反应中分离出来，并通过 X 射线单晶结构分析、红外光谱和元素分析进行​​表征。Ru-KNa 的一个显着方面是它有两种配体类型，苯和乙酸盐，乙酸盐配体仅通过一个中心 Na 阳离子连接形成二聚体夹心型结构，该结构通过 K 阳离子进一步连接以构建3D 结构。以络合物Ru-KNa为基础，合成了化合物Ru-Na，它由两个 Ru( )} 单元组成，通过三个 Ru-O(W) 键连接到 [W8O28(OH)2]10– 片段，从而形成具有理想化 C2 对称性的组件，其中聚阴离子形成 3D 结构通过 Na 链的连接。随后，将化合物 Ru-Na 锚定在（3-氨基丙基）三乙氧基硅烷（apts）改性的 SBA-15
• Cycloalkanones. 8. Hypocholesterolemic activity of long-chain ketones related to pentadecanone
  作者：Steven D. Wyrick、Iris H. Hall、Claude Piantadosi、Charles R. Fenske

  DOI：10.1021/jm00224a005

  日期：1976.2

  Aliphatic analogs of 2,8-dibenzylcyclooctanone which includes C15-C18 ketones have been investigated for hypocholesterolemic activity in rats. The position of the carbonyl group in the chain for maximum activity appears to be the 2 position. 2-Hexadecanone reduced serum cholesterol levels significantly without altering serum triglyceride levels. This drug was not estrogenic at effective doses which

  已经研究了包括C15-C18酮在内的2,8-二苄基环辛酮的脂族类似物在大鼠体内的降胆固醇活性。为了最大活性，羰基在链中的位置似乎是2位。2-十六烷酮可显着降低血清胆固醇水平，而不会改变血清甘油三酯水平。与具有这种活性的环辛酮相反，该药物在有效剂量下不是雌激素的。
• 2-0-(-d-glucopyranosyl) ascorbic acid, process for its production, and foods and cosmetics containning compositions comprising it
  申请人：Maeda Mitsuru

  公开号：US20050113312A1

  公开（公告）日：2005-05-26

  The present invention provides a novel ascorbic acid derivative as a provitamin C with improved stability in the body and prolonged life in the body compared to conventionally known 2-O-(α-D-glucopyranosyl)ascorbic acid. The composition comprising the novel compound 2-β-(-D-glucopyranosyl)ascorbic acid has been extracted from plants such as from Ningxia Lycium barbarum L. and/or Lycium chinense Mill. The compositions comprising 2-O-(β-D-glucopyranosyl)ascorbic acid may be enzymatically synthesized using β-D-glucosyltransferase. Pure 2-O-(β-D-glucopyranosyl)ascorbic acid may be produced from such compositions. Alternatively, 2-O-(β-D-glucopyranosyl)ascorbic acid may be produced by chemical synthesis. The 2-O-(β-D-glucopyranosyl)ascorbic acid results in higher stability and a prolonged life of vitamin C when ingested in the body compared to the corresponding α-D-glucopyranosyl derivative, and is therefore highly suitable as a provitamin C to be used in cosmetics and foods.

  本发明提供了一种新型抗坏血酸衍生物作为一种前维生素C，与传统已知的2-O-(α-D-葡萄糖吡喃基)抗坏血酸相比，在体内具有更好的稳定性和更长的寿命。该新化合物2-β-(-D-葡萄糖吡喃基)抗坏血酸的组成物已从植物中提取，例如从宁夏枸杞和/或枸杞。含有2-O-(β-D-葡萄糖吡喃基)抗坏血酸的组成物可以使用β-D-葡萄糖基转移酶酶法合成。可以从这些组成物中制备纯的2-O-(β-D-葡萄糖吡喃基)抗坏血酸。另外，2-O-(β-D-葡萄糖吡喃基)抗坏血酸也可以通过化学合成制备。与相应的α-D-葡萄糖吡喃基衍生物相比，2-O-(β-D-葡萄糖吡喃基)抗坏血酸在体内摄入时具有更高的稳定性和更长的寿命，因此非常适合作为前维生素C用于化妆品和食品中。
• 2-O- (Beta-D-Glucopyranosyl) ascorbic acid, process for its production, and foods and cosmetics containing compositions comprising it
  申请人：Maeda Mitsuru

  公开号：US20080070983A1

  公开（公告）日：2008-03-20

  The present invention provides a novel ascorbic acid derivative as a provitamin C with improved stability in the body and prolonged life in the body compared to conventionally known 2-O-(α-D-glucopyranosyl)ascorbic acid. The composition comprising the novel compound 2-O-(β-D-glucopyranosyl)ascorbic acid has been extracted from plants such as from Ningxia Lycium barbarum L. and/or Lycium chinense Mill. The compositions comprising 2-O-(β-D-glucopyranosyl)ascorbic acid may be enzymatically synthesized using β-D-glucosyltransferase. Pure 2-O-(β-D-glucopyranosyl)ascorbic acid may be produced from such compositions. Alternatively, 2-O-(β-D-glucopyranosyl)ascorbic acid may be produced by chemical synthesis. The 2-O-(β-D-glucopyranosyl)ascorbic acid results in higher stability and a prolonged life of vitamin C when ingested in the body compared to the corresponding α-D-glucopyranosyl derivative, and is therefore highly suitable as a provitamin C to be used in cosmetics and foods.

  本发明提供了一种新型的抗坏血酸衍生物作为一种前维生素C，与传统已知的2-O-(α-D-葡萄糖吡喃基)抗坏血酸相比，在体内具有更好的稳定性和更长的寿命。包含新化合物2-O-(β-D-葡萄糖吡喃基)抗坏血酸的组合物已从植物中提取，例如从宁夏枸杞和/或枸杞子中提取。包含2-O-(β-D-葡萄糖吡喃基)抗坏血酸的组合物可以使用β-D-葡萄糖基转移酶进行酶促合成。可以从这些组合物中生产纯的2-O-(β-D-葡萄糖吡喃基)抗坏血酸。或者，2-O-(β-D-葡萄糖吡喃基)抗坏血酸可以通过化学合成来制备。与相应的α-D-葡萄糖吡喃基衍生物相比，2-O-(β-D-葡萄糖吡喃基)抗坏血酸在体内摄入时可以导致更高的稳定性和更长的维生素C寿命，因此非常适合用作化妆品和食品中的前维生素C。

表征谱图