diethyl-6,6'-diapocarotene-6,6'-dioate | 847797-92-6

• 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: diethyl-6,6'-diapocarotene-6,6'-dioate
• 英文别名: diethyl (2E,4E,6E,8E,10E,12E,14E,16E,18E)-4,8,13,17-tetramethylicosa-2,4,6,8,10,12,14,16,18-nonaenedioate；diethyl (2E,4E,6E,8E,10E,12E,14E,16E,18E)-4,8,13,17-tetramethylaiko-2,4,6,8,10,12,14,16,18-nonaenediolate；Apo-6,6'-carotindisaeure-diethylester od. Norbixin-diethylester；6,6'-diapo-carotene-6,6'-dioic acid diethyl ester；diethyl 4,8,13,17-tetramethyl-eicosa-2E,4E,6E,8E,10E,12E,14E,16E,18E-nonaene-1,10-dioate；6,6'-Diapo-carotin-6,6'-disaeure-diaethylester；Ethyl bixin
• CAS: 847797-92-6
• 化学式: C₂₈H₃₆O₄
• 分子量: 436.591
• InChiKey: MOZKVDJSWNDVRW-WRKLCVEESA-N

物化性质

• 沸点：
  579.9±23.0 °C(Predicted)
• 密度：
  0.993±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.6
• 重原子数：
  32
• 可旋转键数：
  14
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  diethyl-6,6'-diapocarotene-6,6'-dioate 在 manganese(IV) oxide 、 二异丁基氢化铝 作用下， 以 四氢呋喃 、 丙酮 为溶剂， 反应 17.0h， 生成 6,6'-diapocarotene-6,6'-dial
  参考文献：
  名称：

  来自单分子测量的类胡萝卜素多烯的电子衰减常数

  摘要：

  对于含有 5、7、9 和 11 个碳-碳双键共轭的单分子，已经测量了在每一端化学结合到金触点的类胡萝卜素多烯的电导率。电子衰减常数 beta 被确定为 0.22 +/- 0.04 A-1，与从第一原理模拟中获得的值 (0.22 +/- 0.01 A-1) 非常一致。分子电导的绝对值在根据第一原理计算的值的 3 倍以内。β 的小值表明电导率仅随链长而缓慢下降，证实类胡萝卜素共轭链是相对较好的分子“线”。

  DOI：

  10.1021/ja043279i
• 作为产物：
  描述：

  ((2E,4E,6E)-3,7-dimethyl-8-oxo-octa-2,4,6-trienyl)-triphenyl-phosphonium; bromide 在 sodium ethanolate 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 生成 diethyl-6,6'-diapocarotene-6,6'-dioate
  参考文献：
  名称：

  Schwieter,U. et al., Helvetica Chimica Acta, 1966, vol. 49, p. 369 - 390

  摘要：

  DOI：

文献信息

• 노르빅신 또는 빅신 에틸 에스테르를 제조하기 위한 신규한 중간체 화합물 및 이의 제조방법
  申请人：Myongji University Industry and Academia Cooperation Foundation 명지대학교 산학협력단(220050139720) BRN ▼135-82-11060

  公开号：KR102133791B1

  公开（公告）日：2020-07-14

  본 발명은 신규한 중간체 화합물로부터 카로티노이드계 화합물인 노르빅신 또는 빅신 에틸 에스테르를 제조하는 방법에 관한 것으로, 신규 중간체 화합물을 이용할 경우, 간단한 공정을 통해 높은 수율로 노르빅신 또는 빅신 에틸 에스테르를 제조할 수 있다.

  This is the translation of the text into Chinese: 本发明涉及一种从新型中间体化合物制备类胡萝卜素类化合物诺比欣或维欣乙酯的方法，利用新型中间体化合物，可以通过简单的工艺高产率地制备诺比欣或维欣乙酯。
• Synthesen in der Carotinoid-Reihe. 10. Mitteilung. Anwendung der<i>Wittig</i>-Reaktion zur Synthese von Estern des Bixins und Crocetins
  作者：O. Isler、H. Gutmann、M. Montavon、R. Rüegg、G. Ryser、P. Zeller

  DOI：10.1002/hlca.19570400515

  日期：——

  A simple and efficient synthesis of norbixin and crocetin diesters is described following the schemes C2 + C2o + C2,=C24 and C3 + C14 + C3 = C20 respectively. By means of the Wittig reaction crocetin di-aldehyde is condensed with a bromoacetic acid ester and a C14-dialdehyde with an α-bromopropionic acid ester. The intermediate tri- phenylphosphorane compounds are crystalline and easily isolated in

  分别按照方案C 2 + C 2o + C 2，＝ C 24和C 3 + C 14 + C 3＝ C 20，描述了降bi素和藏红花二酯的简单而有效的合成。通过维蒂希反应，将藏红花酸二醛与溴乙酸酯缩合，并将C 14-二醛与α-溴丙酸酯缩合。中间体三苯基磷烷化合物是晶体，容易以纯净状态分离。
• NOVEL INTERMEDIATE COMPOUND FOR MANUFACTURING BIXIN ETHYL ESTER AND METHOD OF MANUFACTURING THE SAME
  申请人：MYONGI UNIVERSITY INDUSTRY AND ACADEMIA COOPERATION FOUNDATION

  公开号：US20200262786A1

  公开（公告）日：2020-08-20

  The present invention relates to a method of manufacturing norbixin or bixin ethyl ester, which is a carotenoid-based compound, from a novel intermediate compound. When the novel intermediate compound is used, it is possible to manufacture norbixin or bixin ethyl ester in high yield through a simple process.

  本发明涉及一种从新型中间化合物制备β-胡萝卜素衍生物诺比辛或比辛乙酯的方法。当使用这种新型中间化合物时，可以通过简单的工艺高产率地制造诺比辛或比辛乙酯。
• Intermediate compound for manufacturing bixin ethyl ester and method of manufacturing the same
  申请人：MYONGJI UNIVERSITY INDUSTRY AND ACADEMIA COOPERATION FOUNDATION

  公开号：US10800735B2

  公开（公告）日：2020-10-13

  The present invention relates to a method of manufacturing norbixin or bixin ethyl ester, which is a carotenoid-based compound, from a novel intermediate compound. When the novel intermediate compound is used, it is possible to manufacture norbixin or bixin ethyl ester in high yield through a simple process.

  本发明涉及一种用新型中间体化合物制造诺比星或比星乙酯的方法，诺比星或比星乙酯是一种类胡萝卜素基化合物。使用该新型中间体化合物时，可以通过简单的工艺高产率地生产诺比星或比克星乙酯。
• Trans carotenoids, their synthesis, formulation and uses
  申请人：Gainer John L.

  公开号：US20120095099A1

  公开（公告）日：2012-04-19

  The invention relates to trans carotenoid compounds and salts thereof as well as compositions thereof, methods for making them, and uses thereof. These compounds are useful in improving diffusivity of oxygen between red blood cells and body tissues in mammals including humans.