1,3-dibutyryl-2-palmitoylglycerol | 101036-66-2

• 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-palmitoylglycerol
• 英文别名: BPB；1,3-Di(butanoyloxy)propan-2-yl hexadecanoate
• CAS: 101036-66-2
• 化学式: C₂₇H₅₀O₆
• 分子量: 470.69
• InChiKey: QKDWRERYDAYUSK-UHFFFAOYSA-N

物化性质

• 熔点：
  18 °C
• 沸点：
  508.0±17.0 °C(Predicted)
• 密度：
  0.970±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.9
• 重原子数：
  33
• 可旋转键数：
  26
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 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-palmitoylglycerol 在 Rhizomucor miehei lipase 、 乙醇 作用下， 反应 24.0h， 以80%的产率得到2-单棕榈酸甘油
  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：

  二丁酸甘油酯 、 棕榈酸 在 4-二甲氨基吡啶 、 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 4.0h， 以84%的产率得到1,3-dibutyryl-2-palmitoylglycerol
  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

• [EN] DIETARY BUTYRATE<br/>[FR] BUTYRATE ALIMENTAIRE
  申请人：NESTLE SA

  公开号：WO2020126979A1

  公开（公告）日：2020-06-25

  A compound having the formula (1), (2), (3) or (4), or combinations thereof, for use in the prevention or treatment of dehydration, and/or in the treatment of diarrhea, wherein R1, R2, R3, R4, R5 and R6 are independently, a long chain fatty acid having between 16 and 20 carbons.

  具有化学式（1）、（2）、（3）或（4）的化合物，或其组合物，用于预防或治疗脱水和/或治疗腹泻，其中R1、R2、R3、R4、R5和R6分别独立地表示具有16至20个碳的长链脂肪酸。
• [EN] DIETARY BUTYRATE FOR TREATING OR PREVENTING AN ALLERGIC DISORDER<br/>[FR] BUTYRATE ALIMENTAIRE POUR LE TRAITEMENT OU LA PRÉVENTION D'UN TROUBLE ALLERGIQUE
  申请人：NESTLE SA

  公开号：WO2020127642A1

  公开（公告）日：2020-06-25

  A compound having the formula or combinations thereof, for use in the treatment or prevention of an allergic disorder, wherein R1, R2, R3, R4, R5 and R6 are independently, a long chain fatty acid having between 16 and 20 carbons.

  一种具有以下化学式或其组合的化合物，用于治疗或预防过敏性疾病，其中R1、R2、R3、R4、R5和R6分别独立地表示具有16至20个碳的长链脂肪酸。
• 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。
• Whitby, Journal of the Chemical Society, 1926, p. 1460
  作者：Whitby

  DOI：——

  日期：——
• DIETARY BUTYRATE AND ITS USES
  申请人：SOCIETE DES PRODUITS NESTLE S.A.

  公开号：US20220195331A1

  公开（公告）日：2022-06-23

  1. Use of a compound having the formula (1) (2) (3) or (4) or combinations thereof, for providing a source of butyrate C 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 for use in weight management