1,3-dibutyryl-2-linoleoylglycerol | 402562-28-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 甘油脂
• 英文名称: 1,3-dibutyryl-2-linoleoylglycerol
• 英文别名: 1,3-di(butanoyloxy)propan-2-yl (9Z,12Z)-octadeca-9,12-dienoate
• CAS: 402562-28-1
• 化学式: C₂₉H₅₀O₆
• 分子量: 494.712
• InChiKey: NBFQPTIQXFSUND-XVTLYKPTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.4
• 重原子数：
  35
• 可旋转键数：
  26
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  78.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1,3-dibutyryl-2-linoleoylglycerol 在 Rhizomucor miehei lipase 、 乙醇 作用下， 反应 24.0h， 以77%的产率得到2-亚麻酰基-rac-甘油
  参考文献：
  名称：

  Application of chemoenzymatic hydrolysis in the synthesis of 2-monoacylglycerols

  摘要：

  The selective biocatalyzed synthesis of 2-monoacylglycerols (2-MAGs) through the use of commercially available immobilized Candida antarctica (Novozym435) and Rhizomucor miehei is explored. Reactions at room temperature result in the formation of a 2-MAG and a corresponding ethyl ester of the fatty acid with immobilized C. antarctica within 2 h with yields ranging from 36% to 83%. Similar reaction conditions with immobilized R. miehei yielded exclusively the 2-MAG after 24 h with yields ranging from 37% to 88%. Yields vary on the acyl group at the sn-2 position and choice of enzyme involved. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.04.101
• 作为产物：
  描述：

  正丁酸乙烯酯 在 4-二甲氨基吡啶 、 Candida antarctica lipase 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 9.0h， 生成 1,3-dibutyryl-2-linoleoylglycerol
  参考文献：
  名称：

  Application of chemoenzymatic hydrolysis in the synthesis of 2-monoacylglycerols

  摘要：

  The selective biocatalyzed synthesis of 2-monoacylglycerols (2-MAGs) through the use of commercially available immobilized Candida antarctica (Novozym435) and Rhizomucor miehei is explored. Reactions at room temperature result in the formation of a 2-MAG and a corresponding ethyl ester of the fatty acid with immobilized C. antarctica within 2 h with yields ranging from 36% to 83%. Similar reaction conditions with immobilized R. miehei yielded exclusively the 2-MAG after 24 h with yields ranging from 37% to 88%. Yields vary on the acyl group at the sn-2 position and choice of enzyme involved. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.04.101

文献信息

• DIETARY BUTYRATE
  申请人：SOCIETE DES PRODUITS NESTLE S.A.

  公开号：US20210038554A1

  公开（公告）日：2021-02-11

  Use of a compound having the formula (1), (2), (3), or (4) or combinations thereof, for providing a source of butyrate with improved organoleptic properties wherein R 1 , R 2 , R 3 , R 4 , R 5 and R 6 are independently a long chain fatty acid having between 16 and 20 carbons.

  使用化学式(1)，(2)，(3)或(4)或它们的组合，提供一种具有改善的感官特性的丁酸源，其中R1，R2，R3，R4，R5和R6分别是具有16到20个碳的长链脂肪酸。
• DIETARY BUTYRATE AND ITS USES
  申请人：Société des Produits Nestlé S.A.

  公开号：EP3972429A1

  公开（公告）日：2022-03-30
• [EN] DIETARY BUTYRATE AND ITS USES<br/>[FR] BUTYRATE ALIMENTAIRE ET SES UTILISATIONS
  申请人：NESTLE SA

  公开号：WO2020234354A1

  公开（公告）日：2020-11-26

  1. Use of a compound having the formula (1) (2) (3) or (4) or combinations thereof, for use in promotion of bone growth and/or prevention and/or treatment of bone disorders associated to bone growth impairment wherein R1, R2, R3, R4, R5 and R6 are independently a long chain fatty acid having between 16 and 20 carbons.
• [EN] DIETARY BUTYRATE<br/>[FR] BUTYRATE ALIMENTAIRE
  申请人：NESTLE SA

  公开号：WO2021110963A1

  公开（公告）日：2021-06-10

  A nutritional composition for providing a source of butyrate or butyric acid comprising a compound having the formula (1) wherein R6 is a long chain fatty acid having between 16 and 20 carbons.