Methyl (9E)-12-oxo-9-dodecenoate | 70156-43-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Methyl (9E)-12-oxo-9-dodecenoate
• 英文别名: methyl 12-oxo-dodec-9-enoate；Methyl 12-oxo-9-dodecenoate；methyl (E)-12-oxododec-9-enoate
• CAS: 70156-43-3
• 化学式: C₁₃H₂₂O₃
• 分子量: 226.316
• InChiKey: QMLVRFHLQFNZEI-SOFGYWHQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  16
• 可旋转键数：
  11
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Methyl (9E)-12-oxo-9-dodecenoate 生成 (E)-11-Formyl-10-undecensaeure-methylester
  参考文献：
  名称：

  RAKOFF H.; ADLOF R. C.; EMKEN E. A., SYNTH. COMMUN., 1979, 9, NO 3, 185-199

  摘要：

  DOI：
• 作为产物：
  描述：

  (9Z,12R,13R)-12,13-Dihydroxy-9-octadecenoic acid methyl ester 在 过碘酸 作用下， 以 四氢呋喃 为溶剂， 生成 Methyl (9E)-12-oxo-9-dodecenoate
  参考文献：
  名称：

  Rakoff,H. et al., Synthetic Communications, 1979, vol. 9, p. 185 - 199

  摘要：

  DOI：

文献信息

• METHODS OF MAKING ORGANIC COMPOUNDS BY METATHESIS
  申请人：Elevance Renewable Sciences, Inc.

  公开号：EP3281931A1

  公开（公告）日：2018-02-14

  Described are methods of making organic compounds by metathesis chemistry. The methods of the invention are particularly useful for making industrially-important organic compounds beginning with starting compositions derived from renewable feedstocks, such as natural oils. The methods make use of a cross-metathesis step with an olefin compound to produce functionalized alkene intermediates having a pre-determined double bond position. Once isolated, the functionalized alkene intermediate can be self-metathesized or cross-metathesized (e.g., with a second functionalized alkene) to produce the desired organic compound or a precursor thereto. The method may be used to make bifunctional organic compounds, such as diacids, diesters, dicarboxylate salts, acid/esters, acid/amines, acid/alcohols, acid/aldehydes, acid/ketones, acid/halides, acid/nitriles, ester/amines, ester/alcohols, ester/aldehydes, ester/ketones, ester/halides, ester/nitriles, and the like.

  本发明描述了通过偏合成化学制造有机化合物的方法。本发明的方法特别适用于从可再生原料（如天然油）中提取的起始组合物开始制造工业上重要的有机化合物。这些方法利用与烯烃化合物的交叉甲基化步骤，生成具有预定双键位置的官能化烯中间体。一旦分离出来，官能化烯中间体可进行自甲基化或交叉甲基化（例如与第二种官能化烯），以生产所需的有机化合物或其前体。该方法可用于制造双官能团有机化合物，如二酸、二酯、二羧酸盐、酸/酯、酸/胺、酸/醇、酸/醛、酸/酮、酸/卤化物、酸/腈、酯/胺、酯/醇、酯/醛、酯/酮、酯/卤化物、酯/腈等。
• Methods of making organic compounds by metathesis
  申请人：Wilmar Trading Pte Ltd

  公开号：US10906861B2

  公开（公告）日：2021-02-02

  Described are methods of making organic compounds by metathesis chemistry. The methods of the invention are particularly useful for making industrially-important organic compounds beginning with starting compositions derived from renewable feedstocks, such as natural oils. The methods make use of a cross-metathesis step with an olefin compound to produce functionalized alkene intermediates having a pre-determined double bond position. Once isolated, the functionalized alkene intermediate can be self-metathesized or cross-metathesized (e.g., with a second functionalized alkene) to produce the desired organic compound or a precursor thereto. The method may be used to make bifunctional organic compounds, such as diacids, diesters, dicarboxylate salts, acid/esters, acid/amines, acid/alcohols, acid/aldehydes, acid/ketones, acid/halides, acid/nitriles, ester/amines, ester/alcohols, ester/aldehydes, ester/ketones, ester/halides, ester/nitriles, and the like.

  本发明描述了通过偏合成化学制造有机化合物的方法。本发明的方法特别适用于从可再生原料（如天然油）中提取的起始组合物开始制造工业上重要的有机化合物。这些方法利用与烯烃化合物的交叉甲基化步骤，生成具有预定双键位置的官能化烯中间体。一旦分离出来，官能化烯中间体可进行自甲基化或交叉甲基化（例如与第二种官能化烯），以生产所需的有机化合物或其前体。该方法可用于制造双官能团有机化合物，如二酸、二酯、二羧酸盐、酸/酯、酸/胺、酸/醇、酸/醛、酸/酮、酸/卤化物、酸/腈、酯/胺、酯/醇、酯/醛、酯/酮、酯/卤化物、酯/腈等。
• Rakoff,H. et al., Synthetic Communications, 1979, vol. 9, p. 185 - 199
  作者：Rakoff,H. et al.

  DOI：——

  日期：——
• ISHIBASHI, HIROYUKI;KOMATSU, HAJIME;IKEDA, MASAZUMI, J. CHEM. RES. SYNOP.,(1987) 296-297
  作者：ISHIBASHI, HIROYUKI、KOMATSU, HAJIME、IKEDA, MASAZUMI

  DOI：——

  日期：——
• Methods of Making Organic Compounds by Metathesis
  申请人：Elevance Renewable Sciences, Inc.

  公开号：US20150307438A1

  公开（公告）日：2015-10-29

  Described are methods of making organic compounds by metathesis chemistry. The methods of the invention are particularly useful for making industrially-important organic compounds beginning with starting compositions derived from renewable feedstocks, such as natural oils. The methods make use of a cross-metathesis step with an olefin compound to produce functionalized alkene intermediates having a pre-determined double bond position. Once isolated, the functionalized alkene intermediate can be self-metathesized or cross-metathesized (e.g., with a second functionalized alkene) to produce the desired organic compound or a precursor thereto. The method may be used to make bifunctional organic compounds, such as diacids, diesters, dicarboxylate salts, acid/esters, acid/amines, acid/alcohols, acid/aldehydes, acid/ketones, acid/halides, acid/nitriles, ester/amines, ester/alcohols, ester/aldehydes, ester/ketones, ester/halides, ester/nitriles, and the like.