1,21-heneicosanoic acid dimethyl ester | 42235-77-8

• 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: 1,21-heneicosanoic acid dimethyl ester
• 英文别名: dimethyl 1,23-tricosanedioate；tricosanedioic acid dimethyl ester；Tricosandisaeure-dimethylester；Dimethyl tricosanedioate
• CAS: 42235-77-8
• 化学式: C₂₅H₄₈O₄
• 分子量: 412.654
• InChiKey: INCGPTFQVWWFPC-UHFFFAOYSA-N

物化性质

• 熔点：
  73-74 °C
• 沸点：
  431.3±13.0 °C(Predicted)
• 密度：
  0.920±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  10
• 重原子数：
  29
• 可旋转键数：
  24
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.92
• 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：

  1,21-heneicosanoic acid dimethyl ester 在 氢气 作用下， 以 四氢呋喃 为溶剂， 100.0 ℃ 、5.0 MPa 条件下， 生成 tricosane-1,23-dicarboxylic acid
  参考文献：
  名称：

  来自植物油的长链脂族聚酯，用于注塑，薄膜挤出和静电纺丝

  摘要：

  通过植物油的催化转化制备的长链α，ω-二酯与长链α，ω-二醇的缩聚反应得到线性脂族聚酯。它们在骨架中既包含可结晶的长聚乙烯状烃链段，又包含酯部分。在便利的催化一步法中，可直接从高油酸葵花籽油的工业级甲基酯中获得高纯度缩聚级1,19-壬二烯二酸二甲酯。同样，-1，23-三碳二烯酸二甲酯衍生自芥酸甲酯。成功扩大规模后，两种中间体都可以100 g的规模使用。数均分子量为M n = 3×10 4 g mol -1的聚酯19.19和-23.23的注塑件具有＞ 600％的断裂伸长率和400MPa的杨氏模量。电纺产生非织造网。所制备的聚酯甚至可以进行薄膜挤出，并且代表了包括聚乙烯在内的多种热塑性塑料的新型共混组分。

  DOI：

  10.1039/c4gc00114a
• 作为产物：
  描述：

  2-十一烯酸 在 盐酸 、 甲醇 、 sodium hydroxide 、 氯化亚砜 、 氢溴酸 、 溴 、 sodium ethanolate 、 sodium hydride 、 silver(l) oxide 、 锌 作用下， 以 乙醇 、 Petroleum ether 为溶剂， 反应 75.17h， 生成 1,21-heneicosanoic acid dimethyl ester
  参考文献：
  名称：

  A novel synthesis of 1,21-heneicosanedioic acid

  摘要：

  DOI：

  10.1021/jo01311a052

文献信息

• Molecular Healing of Polymeric Materials, Coatings, Plastics, Elastomers, Composites, Laminates, Adhesives, and Sealants by Active Enzymes
  申请人：McDaniel C. Steven

  公开号：US20100210745A1

  公开（公告）日：2010-08-19

  Disclosed herein are polymeric materials such as a coating, a plastic, a laminate, a composite, an elastomer, an adhesive, or a sealant; a surface treatment such as a textile finish or a wax; a filler for such a polymeric material or a surface treatment that includes an enzyme such as an esterase (e.g., a lipolytic enzyme, a sulfuric ester hydrolase, an organophosphorus compound degradation enzyme), an enzyme (e.g., a lysozyme, a lytic transglycosylase) that degrades a cell wall and/or a cell membrane component, a biocidal or biostatic peotide, and/or a peptidase. Also disclosed herein are methods of altering a material's property such as service life, flexability, or rigidity, by incorporation of an enzyme into a material capable of being chemically crosslinked by the activity of a lipolytic enzyme, a hydrolase, and/or a urease.

  本文公开了一些聚合材料，如涂层、塑料、层压板、复合材料、弹性体、粘合剂或密封剂；一种表面处理，如纺织品涂层或蜡；一种填料，用于这样的聚合材料或表面处理，其中包括一种酶，如酯酶（例如，脂肪水解酶，硫酸酯水解酶，有机磷化合物降解酶），降解细胞壁和/或细胞膜成分的酶（例如，溶菌酶，裂解转糖基酶），生物杀菌或生物静态肽，以及/或肽酶。本文还公开了通过将酶纳入可通过脂肪水解酶、水解酶和/或脲酶的活性交联材料中来改变材料性能，如使用寿命、柔韧性或刚度的方法。
• Anti-fouling Paints and Coatings
  申请人：Reactive Surfaces LTD

  公开号：US20150191607A1

  公开（公告）日：2015-07-09

  Disclosed herein are polymeric materials such as a coating, a plastic, a laminate, a composite, an elastomer, an adhesive, or a sealant; a surface treatment such as a textile finish or a wax; a filler for such a polymeric material or a surface treatment that includes an enzyme such as an esterase (e.g., a lipolytic enzyme, a sulfuric ester hydrolase, an organophosphorus compound degradation enzyme), an enzyme (e.g., a lysozyme, a lytic transglycosylase) that degrades a cell wall and/or a cell membrane component, a biocidal or biostatic peptide, and/or a peptidase. Also disclosed herein are methods of altering a material's property such as service life, flexability, or rigidity, by incorporation of an enzyme into a material capable of being chemically crosslinked by the activity of a lipolytic enzyme, a hydrolase, and/or a urease.

  本文披露了聚合材料，例如涂层、塑料、层压材料、复合材料、弹性体、粘合剂或密封剂；表面处理，例如纺织品整理或蜡；填充剂，用于这种聚合材料或表面处理，包括酯酶（例如脂肪水解酶、硫酸酯水解酶、有机磷化合物降解酶）的酶，降解细胞壁和/或细胞膜成分的酶（例如溶菌酶、裂解转葡糖苷酶），生物杀菌或生物稳定肽，和/或肽酶。本文还披露了通过将酶并入能够通过脂肪水解酶、水解酶和/或脲酶的活性进行化学交联的材料中，改变材料性能（例如使用寿命、柔韧性或刚度）的方法。
• Solid-state NMR studies on the orthorhombic-to-hexagonal phase transition for α,ω-alkanediol crystals
  作者：K Kuwabara、F Horii、Y Ogawa

  DOI：10.1016/s0022-2860(00)00965-0

  日期：2001.7

  Studies on the orthorhombic and hexagonal phases of alpha,omega -alkanediols have been performed by solid-state NMR. In the cross-polarization/magic angle spinning C-13 NMR spectrum for the orthorhombic phase of 1,23-tricosanediol (HO-(CH2)(23)-OH), the resonance line assigned to the inner CH2 is observed at 32.9 ppm and two resonance lines appear for the alpha -CH2 and gamma -CH2 carbons at chain ends. These doublets are due to the different chain ends with the all-trans and the gauche-included conformations. 13C spin-lattice relaxation time measurements reveal that the chain end including the gauche conformation is less mobile compared to another chain end consisting of the all-trans conformation. It is also found that the monoclinic-hexagonal phase transition behavior for the 1,20-eicosanediol (HO-(CH2)(20)-OH) crystallized from toluene solution by quenching is almost the same as the case of the 1,20-eicosanediol sample crystallized by slowly cooling from the toluene solution which was previously reported. (C) 2001 Elsevier Science B.V. All rights reserved.
• Flaschentraeger; Halle, Hoppe-Seyler's Zeitschrift fur Physiologische Chemie, 1930, vol. 190, p. 136
  作者：Flaschentraeger、Halle

  DOI：——

  日期：——
• TSAI K. R.; NEWMAN M. S., J. ORG. CHEM., 1980, 45, NO 23, 4785-4786
  作者：TSAI K. R.、 NEWMAN M. S.

  DOI：——

  日期：——