1-((2E,6E,10E,14E,18E)-3,7,11,15,19,23-Hexamethyl-tetracosa-2,6,10,14,18,22-hexaenyl)-2,3,4,5-tetramethoxy-6-methyl-benzene | 118579-97-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 1-((2E,6E,10E,14E,18E)-3,7,11,15,19,23-Hexamethyl-tetracosa-2,6,10,14,18,22-hexaenyl)-2,3,4,5-tetramethoxy-6-methyl-benzene
• 英文别名: 1-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl]-2,3,4,5-tetramethoxy-6-methylbenzene
• CAS: 118579-97-8
• 化学式: C₄₁H₆₄O₄
• 分子量: 620.957
• InChiKey: FZNXBFLLJQVTTN-JEQDOQFESA-N

物化性质

• 沸点：
  682.0±55.0 °C(Predicted)
• 密度：
  0.944±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  13.4
• 重原子数：
  45
• 可旋转键数：
  21
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  36.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-((2E,6E,10E,14E,18E)-3,7,11,15,19,23-Hexamethyl-tetracosa-2,6,10,14,18,22-hexaenyl)-2,3,4,5-tetramethoxy-6-methyl-benzene 在 ammonium cerium(IV) nitrate 作用下， 以 二氯甲烷 、 水 、 乙腈 为溶剂， 以60%的产率得到辅酶Q6
  参考文献：
  名称：

  A Convergent Approach to Coenzyme Q

  摘要：

  Syntheses of coenzyme Q(3-8) are described, as well as related systems such as plastoquinone-5. Preparation of thr higher homologues of the ubiquinones relies on two new conjunctive reagents, or "linchpins", each of which ultimately corresponds to two or three prenyl units. These allow for attachment of a polyprenyl halide at one end, followed by a Ni(0)-catalyzed cross-coupling at the other terminus with a chloromethylated p-quinone.

  DOI：

  10.1021/ja992164p
• 作为产物：
  描述：

  2,3,4,5-四甲氧基甲苯 在 盐酸 、 四(三苯基膦)镍 作用下， 以 四氢呋喃 为溶剂， 生成 1-((2E,6E,10E,14E,18E)-3,7,11,15,19,23-Hexamethyl-tetracosa-2,6,10,14,18,22-hexaenyl)-2,3,4,5-tetramethoxy-6-methyl-benzene
  参考文献：
  名称：

  A Convergent Approach to Coenzyme Q

  摘要：

  Syntheses of coenzyme Q(3-8) are described, as well as related systems such as plastoquinone-5. Preparation of thr higher homologues of the ubiquinones relies on two new conjunctive reagents, or "linchpins", each of which ultimately corresponds to two or three prenyl units. These allow for attachment of a polyprenyl halide at one end, followed by a Ni(0)-catalyzed cross-coupling at the other terminus with a chloromethylated p-quinone.

  DOI：

  10.1021/ja992164p

文献信息

• Process for the production of polyprenoid type compounds
  申请人：YEDA RESEARCH AND DEVELOPMENT COMPANY LIMITED

  公开号：EP0243849A2

  公开（公告）日：1987-11-04

  There is provided a simple and economic process for the production of polyprene type compounds such as ubiquinones, vitamin K1, vitamin K2, plastoquinones and solanesol type compounds. The process comprises gradually building up stepwise a polyprenoid moiety while same is attached to a terminal group, or building up such polyprenoid moiety and coupling it to a desired terminal group.

  本发明提供了一种简单而经济的聚烯烃类化合物生产工艺，如泛醌类、维生素 K1、维生素 K2、塑醌类和溶烷醇类化合物。 该工艺包括逐步建立聚烯烃分子，同时将其连接到端基上，或建立这种聚烯烃分子并将其与所需的端基偶联。
• A Convergent Approach to Coenzyme Q
  作者：Bruce H. Lipshutz、Gerd Bulow、Fernando Fernandez-Lazaro、Sung-Kyu Kim、Richard Lowe、Paul Mollard、Kirk L. Stevens

  DOI：10.1021/ja992164p

  日期：1999.12.1

  Syntheses of coenzyme Q(3-8) are described, as well as related systems such as plastoquinone-5. Preparation of thr higher homologues of the ubiquinones relies on two new conjunctive reagents, or "linchpins", each of which ultimately corresponds to two or three prenyl units. These allow for attachment of a polyprenyl halide at one end, followed by a Ni(0)-catalyzed cross-coupling at the other terminus with a chloromethylated p-quinone.