5-氧代十二烷酸 | 3637-16-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 5-氧代十二烷酸
• 英文名称: 5-oxododecanoic acid
• 英文别名: 5-Oxo-dodecansaeure
• CAS: 3637-16-9
• 化学式: C₁₂H₂₂O₃
• 分子量: 214.305
• InChiKey: WTQMFERWXACENH-UHFFFAOYSA-N

物化性质

• LogP：
  3.05
• 物理描述：
  Waxy solid; Peaches and cream like aroma
• 溶解度：
  Very slightly soluble in water

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  15
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2918300090
• 储存条件：
  室温密封，干燥保存。

反应信息

• 作为反应物：
  描述：

  5-氧代十二烷酸 在 sodium 、 一水合肼 、 乙二醇 作用下， 生成 月桂酸
  参考文献：
  名称：

  Lukes; Dolezal, Collection of Czechoslovak Chemical Communications, 1958, vol. 23, p. 1100,1102,1107

  摘要：

  DOI：
• 作为产物：
  描述：

  HEPTYLMAGNESIUM BROMIDE 在 乙醚 、 硫酸 作用下， 生成 5-氧代十二烷酸
  参考文献：
  名称：

  Lukes; Dolezal, Collection of Czechoslovak Chemical Communications, 1958, vol. 23, p. 1100,1102,1107

  摘要：

  DOI：

文献信息

• BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF
  申请人：SENOMYX, INC.

  公开号：US20160376263A1

  公开（公告）日：2016-12-29

  The present invention includes compounds and compositions known to modify the perception of bitter taste, and combinations of said compositions and compounds with additional compositions, compounds, and products. Exemplary compositions comprise one or more of the following: cooling agents; inactive drug ingredients; active pharmaceutical ingredients; food additives or foodstuffs; flavorants, or flavor enhancers; food or beverage products; bitter compounds; sweeteners; bitterants; sour flavorants; salty flavorants; umami flavorants; plant or animal products; compounds known to be used in pet care products; compounds known to be used in personal care products; compounds known to be used in home products; pharmaceutical preparations; topical preparations; cannabis-derived or cannabis-related products; compounds known to be used in oral care products; beverages; scents, perfumes, or odorants; compounds known to be used in consumer products; silicone compounds; abrasives; surfactants; warming agents; smoking articles; fats, oils, or emulsions; and/or probiotic bacteria or supplements.

  本发明涵盖已知用于改变苦味感知的化合物和组合物，以及所述组合物和化合物与额外的组合物、化合物和产品的组合。示例组合物包括以下一种或多种：冷却剂；无活性药物成分；活性药用成分；食品添加剂或食品；调味剂或调味增强剂；食品或饮料产品；苦味化合物；甜味剂；苦味剂；酸味调味剂；咸味调味剂；鲜味调味剂；植物或动物产品；已知用于宠物护理产品中的化合物；已知用于个人护理产品中的化合物；已知用于家用产品中的化合物；制药制剂；局部制剂；大麻衍生或与大麻相关的产品；已知用于口腔护理产品中的化合物；饮料；香味、香水或除臭剂；已知用于消费品中的化合物；硅化合物；磨料；表面活性剂；发热剂；吸烟物品；脂肪、油脂或乳化剂；和/或益生菌或补充剂。
• Visible Light-Driven, Copper-Catalyzed Aerobic Oxidative Cleavage of Cycloalkanones
  作者：Hong Xin、Xin-Hua Duan、Mingyu Yang、Yiwen Zhang、Li-Na Guo

  DOI：10.1021/acs.joc.1c00708

  日期：2021.6.18

  A visible light-driven, copper-catalyzed aerobic oxidative cleavage of cycloalkanones has been presented. A variety of cycloalkanones with varying ring sizes and various α-substituents reacted well to give the distal keto acids or dicarboxylic acids with moderate to good yields.

  已经提出了一种可见光驱动的、铜催化的环烷酮有氧氧化裂解。具有不同环大小和各种α-取代基的各种环烷酮反应良好，以中等至良好的产率得到远端酮酸或二羧酸。
• Fragrance precursor compounds
  申请人：Givaudan SA

  公开号：US06369248B1

  公开（公告）日：2002-04-09

  Compounds having formula (I) in which n is 1, 2 or 3 and R1 to R6 represent, independently, branched or unbranched, substituted or unsubstituted alkyl-, alkenyl-, alkinyl-, cycloalkyl-, cycloalkenyl- or aromatic-radicals or hydrogen wherein these radicals may in addition contain one or more —O— and/or (a)—groups, whereby one or two rings can be built by the combination of the respective R1 to R6 and this/these ring(s) can be further substituted by an alkyl-group, in which X is either O and R7 represents a radical of an alcohol or phenol R7OH, or X is N and R7 represents the radical of an amine R7′R7″NH, whereby R7′ and R7″ represent independently, branched or unbranched, substituted or unsubstituted alkyl-, alkenyl-, alkinyl-, cycloalkyl-, cycloalkenyl- or aromatic radicals or either R7′R7″ may be hydrogen, whereby the amine is a fragrant amine or the amine has more than 9 C atoms, whereby R7 of the alcohol or phenol and R7′ and/or R7″ of the amine, respectively, may further contain at least one remaining part C(OH)R1R2—CR3R4—(CR5R6)n—CO— of formula (I), are useful as precursors for the delivery of odoriferous and/or antibacterial compounds in cosmetic compositions, cosmetic products, air fresheners, hard surface cleaners or laundry products.

  化合物的化学式（I）中，n为1、2或3，R1至R6代表分支或非分支、取代或未取代的烷基、烯基、炔基、环烷基、环烯基或芳香基或氢，其中这些基团可能另外含有一个或多个—O—和/或（a）—基团，通过R1到R6的组合可以构建一个或两个环，这些环可以进一步被烷基取代，其中X为O且R7代表醇或酚的基团R7OH，或者X为N且R7代表胺的基团R7′R7″NH，其中R7′和R7″代表分支或非分支、取代或未取代的烷基、烯基、炔基、环烷基、环烯基或芳香基，其中R7′R7″中的任一者可能是氢，其中胺是一种芳香胺或者含有超过9个碳原子，其中醇或酚的R7和胺的R7′和/或R7″，分别可能进一步包含至少一个剩余部分C(OH)R1R2—CR3R4—(CR5R6)n—CO—的化学式（I），这些化合物可作为香味和/或抗菌化合物在化妆品配方、化妆品产品、空气清新剂、硬表面清洁剂或洗衣产品中的前体。
• Stereoselective synthesis of chiral δ-lactones <i>via</i> an engineered carbonyl reductase
  作者：Tao Wang、Xiao-Yan Zhang、Yu-Cong Zheng、Yun-Peng Bai

  DOI：10.1039/d1cc04542c

  日期：——

  A carbonyl reductase variant, SmCRM5, from Serratia marcescens was obtained through structure-guided directed evolution. The variant showed improved specific activity (U mg−1) towards most of the 16 tested substrates and gave high stereoselectivities of up to 99% in the asymmetric synthesis of 13 γ-/δ-lactones. In particular, SmCRM5 showed a 13.8-fold higher specific activity towards the model substrate

  来自粘质沙雷氏菌的羰基还原酶变体Sm CR M5是通过结构引导的定向进化获得的。该变体对 16 种测试底物中的大多数表现出改善的比活性 (U mg -1 )，并在 13 种 γ-/δ-内酯的不对称合成中提供高达 99% 的高立体选择性。特别是，SmCR M5对模型底物（即5-氧代癸酸）的比活性高出 13.8 倍，并在 99% ee 中产生 ( R )-δ-癸内酯，时空产率 (STY) 为 301 g L -1 d -1. 六种δ-内酯的高收率和高对映体纯度的制备表明这些高附加值化学品的生物催化合成是可行的，为贵金属催化提供了一种具有成本效益的绿色替代品。
• Structure of pithecolobine. III. The synthesis of the 1,5- and 1,3-desoxypithecolobines
  作者：K. Wiesner、Z. Valenta、D. E. Orr、V. Liede、G. Kohan

  DOI：10.1139/v68-600

  日期：1968.12.1

  The second communication of this series has shown that "pithecolobine" is a family of closely related analogues represented by the general formula 1. In the present paper a crude semiquantitative estimate of the individual components is achieved by a combination of vapor-phase chromatography and chemical degradation.The synthesis of the desoxypithecolobines 3a and 3b and their tetratosylates 11a and

  本系列的第二次交流表明，“pithecolobine”是由通式 1 表示的一系列密切相关的类似物。在本文中，通过气相色谱法和化学法的结合，对各个组分进行了粗略的半定量估计。降解。描述了脱氧古胆碱 3a 和 3b 及其四甲苯磺酸盐 11a 和 b11b 的合成。通过几种系统中的薄层色谱法、红外、核磁共振和质谱法，将这些化合物与相应的“天然”混合物进行比较，发现强烈支持先前降解工作得出的结论。

表征谱图