2,7-dimethylocta-1,7-dien-4-yne-3,6-diol | 103441-15-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 2,7-dimethylocta-1,7-dien-4-yne-3,6-diol
• 英文别名: 2,7-dimethyl-octa-1,7-dien-4-yne-3,6-diol；2,7-Dimethyl-octa-1,7-dien-4-in-3,6-diol；2,7-Dimethyl-octadien-(1,7)-in-(4)-diol-(3,6)
• CAS: 103441-15-2
• 化学式: C₁₀H₁₄O₂
• 分子量: 166.22
• InChiKey: VJARRRZREKPWSO-UHFFFAOYSA-N

物化性质

• 熔点：
  70.5-71.5 °C
• 沸点：
  135-140 °C(Press: 0.4 Torr)
• 密度：
  1.023±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,7-dimethylocta-1,7-dien-4-yne-3,6-diol 在 三溴化磷 、 苯 作用下， 生成 1,8-dibromo-2,7-dimethyl-octa-2,6-dien-4-yne
  参考文献：
  名称：

  类胡萝卜素中的合成物。11.米特隆。α，β-Ungesättigteausylhalogeniden mityls Nitroparaffinen †

  摘要：

  从利那洛尔开始，柠檬醛是通过使香叶基卤化物与硝基石蜡的碱金属盐反应制得的。通过相同的方法，获得了其他α，β-不饱和羰基化合物，它们是合成类胡萝卜素的有用中间体。

  DOI：

  10.1002/hlca.19570400516
• 作为产物：
  描述：

  acetylene-bis-magnesium bromide 、 2-甲基丙烯醛 在 乙醚 、 苯 作用下， 生成 2,7-dimethylocta-1,7-dien-4-yne-3,6-diol
  参考文献：
  名称：

  652.类胡萝卜素和相关化合物。第二部分 C 10类胡萝卜素合成的中间体

  摘要：

  DOI：

  10.1039/jr9530003294

文献信息

• PROCESS FOR PRODUCTION OF DIALCOHOL, PROCESS FOR PRODUCTION OF ALLYLHALIDE COMPOUND, AND ALLYLCHLORIDE COMPOUND
  申请人：Sumitomo Chemical Company, Limited

  公开号：EP2248794A1

  公开（公告）日：2010-11-10

  Disclosed are: an advantageous production process for a carotenoid intermediate; and others. Specifically disclosed are: a process for producing a dialcohol represented by formula (1), which is characterized by reacting a Grignard reagent with an acetylene gas in an organic solvent at a temperature of 30°C or higher to prepare an ethynyl magnesium halide and subsequently reacting the ethynyl magnesium halide with methacrolein; a process for producing an allylhalide compound represented by formula (3) [wherein X represents a halogen atom: and the wavy line means the compound is either of E/Z geometric isomers or a mixture thereof], which is characterized by reducing a dialcohol represented by formula (1) with hydrogen to produce a triene alcohol represented by formula (2) [wherein the wavy line is as defined above] and halogenating the triene alcohol; and an allylchloride compound represented by formula (4) [wherein the wavy line is as defined above].

  揭示了：一种有利的类胡萝卜素中间体的生产工艺；以及其他内容。具体揭示了：一种生产由式（1）表示的二醇的工艺，其特征在于在有机溶剂中以30°C或更高的温度反应格氏试剂和乙炔气体，制备乙炔镁卤化物，随后将乙炔镁卤化物与丙烯醛反应；一种生产由式（3）表示的烯丙卤化物的工艺[其中X代表卤素原子；波浪线表示该化合物为E/Z几何异构体或其混合物之一]，其特征是用氢还原由式（1）表示的二醇，产生由式（2）表示的三烯醇[其中波浪线的定义如上所述]，并对三烯醇进行卤化；以及一种由式（4）表示的烯丙氯化物。
• Deemer; Lutwak; Strong, Journal of the American Chemical Society, 1948, vol. 70, p. 156
  作者：Deemer、Lutwak、Strong

  DOI：——

  日期：——
• Inhoffen et al., Justus Liebigs Annalen der Chemie, 1953, vol. 580, p. 7,17
  作者：Inhoffen et al.

  DOI：——

  日期：——
• Doering, W. Von E.; Sotiriou-Leventis, Chariklia; Roth, Journal of the American Chemical Society, 1995, vol. 117, # 10, p. 2747 - 2757
  作者：Doering, W. Von E.、Sotiriou-Leventis, Chariklia、Roth

  DOI：——

  日期：——
• SULFONE COMPOUND AND PROCESS FOR PRODUCING CAROTENOID USING THE SAME COMPOUND
  申请人：Takahashi Toshiya

  公开号：US20110015441A1

  公开（公告）日：2011-01-20

  The present invention relates to a process for producing a sulfone compound of the following formula (3), characterized in that an allyl sulfone compound of the formula (1) and an allyl halide compound of the formula (2) are reacted in an organic solvent in the presence of an alkali metal hydroxide and a phase-transfer catalyst: wherein A is CH 2 or C═O; Ar is an aryl group optionally having 1 to 3 substitutents; and the wavy line means that the steric relation to the double bond which the wavy line is bound to is of E-form, Z-form or a mixture of E/Z; wherein X is a halogen atom; and the wavy line means the same as defined above; and wherein A, Ar and the wavy line mean the same as defined above. The present invention also relates to a process for producing a carotenoid from the same sulfone compound.