十二碳-6-烯酸 | 52956-98-6

• 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: 十二碳-6-烯酸
• 英文名称: (Z)-6-dodecenoic acid
• 英文别名: 6Z-dodecenoic acid；(Z)-dodec-6-enoic acid
• CAS: 52956-98-6
• 化学式: C₁₂H₂₂O₂
• 分子量: 198.305
• InChiKey: ZCEUIRJAEQQMMA-SREVYHEPSA-N

物化性质

• 沸点：
  307.1±11.0 °C(Predicted)
• 密度：
  0.922±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  14
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  十二碳-6-烯酸 在 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 乙醚 、 正庚烷 、 乙基苯 为溶剂， 反应 4.5h， 生成 1-methyl-2-[(Z)-5'-undecenyl]-4(1H)-quinolone
  参考文献：
  名称：

  Design, synthesis and antimycobacterial activities of 1-methyl-2-alkenyl-4(1H)-quinolones

  摘要：

  A series of 23 new 1-methyl-2-alkenyl-4(1H)quinolones have been synthesized and evaluated in vitro for their antimycobacterial activities against fast growing species of mycobacteria, such as Mycobacterium fortuitum, M. smegmatis and M. phlei. The compounds displayed good to excellent inhibition of the growth of the mycobacterial test strains with improved antimycobacterial activity compared to the hit compound, evocarpine. The most active compounds, which possessed chain length of 11-13 carbons at position-2 displayed potent inhibitory effects with an MIC value of 1.0 mg/L. In a human diploid embryonic lung cell line, MRC-5 cytotoxicity assay, the alkaloids showed weak to moderate cytotoxic activity. Biological evaluation of these evocarpine analogues on the less pathogenic fast growing strains of mycobacteria showed an interesting antimycobacterial profile and provided significant insight into the structure-activity relationships. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2010.10.060
• 作为产物：
  描述：

  1-庚炔 在 Lindlar's catalyst 六甲基磷酰三胺 、 sodium hydroxide 、 正丁基锂 、 氢气 作用下， 以 乙醇 为溶剂， 反应 156.67h， 生成 十二碳-6-烯酸
  参考文献：
  名称：

  Huhtasaari, Matti; Schaefer, Hans J.; Luftmann, Heinrich, Acta chemica Scandinavica. Series B: Organic chemistry and biochemistry, 1983, vol. 37, # 6, p. 537 - 548

  摘要：

  DOI：

文献信息

• [EN] FRAGRANCE COMPOSITION<br/>[FR] COMPOSITION POUR PARFUM
  申请人：KAO CORP

  公开号：WO2010082684A1

  公开（公告）日：2010-07-22

  A novel musk-based fragrance having an excellent musky fragrance is provided. Also provided is a fragrance composition containing, as an active ingredient, a macrocyclic lactone compound represented by the following formula (1): wherein A represents an ethylene group or an ethenylene group; and when A is an ethylene group, R represents an alkyl group having 3 carbon atoms, and n represents an integer from 1 to 6, while when A is an ethenylene group, R represents an alkyl group having 1 to 3 carbon atoms, and n represents an integer from 1 to 6.

  提供了一种具有优异麝香气味的新型麝香香料。还提供了一种香料组合物，其包含以下式（1）所表示的大环内酯化合物作为活性成分：其中，A代表乙烯基或乙烯基；当A是乙烯基时，R代表具有3个碳原子的烷基，n为1至6的整数，而当A为乙烯基时，R代表具有1至3个碳原子的烷基，n为1至6的整数。
• FRAGRANCE COMPOSITION
  申请人：Takahashi Fumikazu

  公开号：US20110269664A1

  公开（公告）日：2011-11-03

  A novel musk-based fragrance having an excellent musky fragrance is provided. Also provided is a fragrance composition containing, as an active ingredient, a macrocyclic lactone compound represented by the following formula (1): wherein A represents an ethylene group or an ethenylene group; and when A is an ethylene group, R represents an alkyl group having 3 carbon atoms, and n represents an integer from 1 to 6, while when A is an ethenylene group, R represents an alkyl group having 1 to 3 carbon atoms, and n represents an integer from 1 to 6.

  提供了一种具有优异麝香气味的新型麝香香料。同时还提供了一种香料组合物，其包含以下式（1）所代表的大环内酯化合物作为活性成分：其中A代表乙烯基或乙烯基；当A为乙烯基时，R代表具有3个碳原子的烷基基团，n代表1到6的整数，而当A为乙烯基时，R代表具有1到3个碳原子的烷基基团，n代表1到6的整数。
• Scholz, Dieter; Burtscher, Peter, Liebigs Annalen der Chemie, 1985, # 3, p. 517 - 521
  作者：Scholz, Dieter、Burtscher, Peter

  DOI：——

  日期：——
• SCHOLZ, D.;BURTSCHER, P., LIEBIGS ANN. CHEM., 1985, N 3, 517-521
  作者：SCHOLZ, D.、BURTSCHER, P.

  DOI：——

  日期：——
• PHEROMONDISPENSER
  申请人：BASF SE

  公开号：EP2384111A1

  公开（公告）日：2011-11-09