12-甲基十六烷酸 | 17001-24-0

• 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: 12-甲基十六烷酸
• 英文名称: 12-methylhexadecanoic acid
• 英文别名: 12-methyl-hexadecanoic acid；12-Methyl-hexadecansaeure
• CAS: 17001-24-0
• 化学式: C₁₇H₃₄O₂
• 分子量: 270.456
• InChiKey: JKCYVUZEGXBWNK-UHFFFAOYSA-N

物化性质

• 沸点：
  358.05°C (estimate)
• 密度：
  0.8791 (rough estimate)
• LogP：
  7.500 (est)

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  19
• 可旋转键数：
  14
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2915900090

反应信息

• 作为产物：
  描述：

  n-Butyl-methyl-malonsaeure 在 盐酸 、 氢氧化钾 、 lithium aluminium tetrahydride 、 硫酸 、 一水合肼 、 lithium bromide 作用下， 以 吡啶 、 甲醇 、 乙醇 、 水 、 丙酮 、 二乙二醇 为溶剂， 反应 31.5h， 生成 12-甲基十六烷酸
  参考文献：
  名称：

  Dobner; Elsner; Nuhn, Pharmazie, 1989, vol. 44, # 11, p. 758 - 760

  摘要：

  DOI：

文献信息

• Alkylation of Alkenes:  Ethylaluminum Sesquichloride-Mediated Hydro-Alkyl Additions with Alkyl Chloroformates and Di-<i>tert-</i>butylpyrocarbonate
  作者：Ursula Biermann、Jürgen O. Metzger

  DOI：10.1021/ja048904y

  日期：2004.8.1

  alkene; hydride transfer to the adduct carbenium ion or, if applicable, 1,2-H shift followed by hydride transfer from Et(3)Al(2)Cl(3) to the rearranged adduct carbenium ion gives the saturated addition product. The reaction has been applied to 1-alkenes, 2-methyl-1-alkenes, internal double bonds, and to three cyclic alkenes. Special interest has been focused on alkylations of unsaturated fatty compounds,

  使用氯甲酸烷基酯（一级、二级）12 和焦碳酸二叔丁基酯 52 将氢烷基加成到未活化的 C=C 双键的烯烃的一般方法，由倍半氯化乙基铝（Et（3）Al（ 2)Cl(3)) 已开发。12 和 52 分别与 Et(3)Al(2)Cl(3) 反应得到烷基阳离子，该阳离子被加到烯烃上；氢化物转移到加合物碳鎓离子，或者，如果适用，1,2-H 转移，然后从 Et(3)Al(2)Cl(3) 转移到重排的加合物碳鎓离子，得到饱和加成产物。该反应已应用于 1-烯烃、2-甲基-1-烯烃、内部双键和三个环状烯烃。特别感兴趣的是不饱和脂肪化合物的烷基化，例如油酸 (2)，这是重要的可再生原料。2-甲基烷烃，
• Weitzel; Wojahn, Hoppe-Seyler's Zeitschrift fur Physiologische Chemie, 1951, vol. 287, p. 65,88
  作者：Weitzel、Wojahn

  DOI：——

  日期：——
• SCATTERED BRANCHED-CHAIN FATTY ACIDS AND BIOLOGICAL PRODUCTION THEREOF
  申请人：THE PROCTER & GAMBLE COMPANY

  公开号：EP2524049B1

  公开（公告）日：2015-10-28
• BIODEGRADABLE COMPOSITIONS AND MATERIALS
  申请人：Putnam David Aaron

  公开号：US20100104625A1

  公开（公告）日：2010-04-29

  The present invention provides compounds of Formula I, materials comprising one or more compounds of Formula I and one or more biologically active agents, pharmaceutical compositions comprising an inventive material and a pharmaceutically acceptable excipient, methods of making compounds of Formula I, methods of making inventive materials, and methods of using pharmaceutical compositions comprising an inventive material and a pharmaceutically acceptable excipient.
• Scattered Branched-Chain Fatty Acids And Biological Production Thereof
  申请人：Saunders Charles Winston

  公开号：US20110166370A1

  公开（公告）日：2011-07-07

  Methods and cells for producing scattered branched-chain fatty acids are provided. For example, the invention provides a method for producing branched-chain fatty acid comprising a methyl on one or more even number carbons. The method comprises culturing a cell comprising an exogenous or overexpressed polynucleotide comprising a nucleic acid sequence encoding a polypeptide that catalyzes the conversion of propionyl-CoA to methylmalonyl-CoA and/or an exogenous or overexpressed polynucleotide comprising a nucleic acid sequence encoding a polypeptide that catalyzes the conversion of succinyl-CoA to methylmalonyl-CoA, under conditions allowing expression of the polynucleotide(s) and production of branched-chain fatty acid. The cell produces more branched-chain fatty acid comprising a methyl on one or more even number carbons than an otherwise similar cell that does not comprise the polynucleotide(s). A cell that produces branched-chain fatty acid and the branched-chain fatty acid also are provided.