1,3-propanediol, butyrate | 14451-61-7

• 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: 1,3-propanediol, butyrate
• 英文别名: 1,3-propanediol,butyrate；3-Hydroxypropyl butanoate
• CAS: 14451-61-7
• 化学式: C₇H₁₄O₃
• mdl: MFCD30479323
• 分子量: 146.186
• InChiKey: KMBBFZNKUXOELM-UHFFFAOYSA-N

物化性质

• 沸点：
  68-71 °C(Press: 1 Torr)
• 密度：
  1.007±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  10
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.857
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  他米巴罗汀 、 1,3-propanediol, butyrate 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 为溶剂， 反应 4.0h， 以81.7%的产率得到3-(butyryloxy)propyl 4-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-ylcarbamoyl)benzoate
  参考文献：
  名称：

  新型AM80衍生物作为抗白血病药物的合成及生物学评价

  摘要：

  合成了一系列新型的AM80衍生物作为抗白血病药物，并通过IR，1 H-NMR和HR-MS光谱证实了其结构。评价所有目标化合物对人白血病HL-60，NB4和K562细胞系的体外抗增殖活性。在这些衍生物中，化合物4g对所有三种人类白血病细胞系的抗增殖活性均强于阳性对照AM80，化合物4b对HL-60和K562细胞的抗增殖活性比AM80高。此外，初步的SAR分析表明AM80与空间位阻小的HDAC抑制剂结合可以产生更有效的抗白血病药物。这些结果将有助于设计更有效的抗白血病药物治疗人类白血病。

  DOI：

  10.1007/s00044-012-0019-9
• 作为产物：
  描述：

  2-propyl-[1,3]dioxane 在 potassium permanganate 、 苄基三乙基氯化铵 作用下， 以 水 、 苯 为溶剂， 反应 4.0h， 以76%的产率得到1,3-propanediol, butyrate
  参考文献：
  名称：

  Nai-ju, Huang; Liang-heng, Xu, Synthetic Communications, 1990, vol. 20, # 10, p. 1563 - 1567

  摘要：

  DOI：

文献信息

• GRAPHENE COMPOUND AND MANUFACTURING METHOD THEREOF, ELECTROLYTE, AND POWER STORAGE DEVICE
  申请人：SEMICONDUCTOR ENERGY LABORATORY CO., LTD.

  公开号：US20180108944A1

  公开（公告）日：2018-04-19

  To provide a graphene compound having an insulating property and an affinity for lithium ions. To increase the molecular weight of a substituent included in a graphene compound. To provide a graphene compound including a chain group containing an ether bond or an ester bond. To provide a graphene compound including a substituent containing one or more branches. To provide a graphene compound including a substituent including at least one of an ester bond and an amide bond.

  提供具有绝缘性和对锂离子亲和性的石墨烯化合物。增加石墨烯化合物中包含的取代基的分子量。提供包含含有醚键或酯键的链基团的石墨烯化合物。提供包含含有一个或多个支链的取代基的石墨烯化合物。提供包含至少一种酯键和酰胺键的取代基的石墨烯化合物。
• 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。
• SYSTEMS AND METHODS FOR PRODUCING SURFACTANTS AND SURFACTANT INTERMEDIATES
  申请人：McNeff Clayton V.

  公开号：US20120264955A1

  公开（公告）日：2012-10-18

  Embodiments of the invention include processing lipid feedstocks into various products. Embodiments of the invention include processing lipid feedstocks into various products. In an embodiment, the invention includes a method of processing a lipid feedstock comprising combining triglycerides from the lipid feedstock with water to form a first reaction mixture, contacting the first reaction mixture with a first metal oxide catalyst at a temperature of greater than 200 degrees Celsius to form a first product mixture including free fatty acids and glycerin, combining the free fatty acids with a diol to form a second reaction mixture, and contacting the second reaction mixture with a second metal oxide catalyst at a temperature of greater than 200 degrees Celsius to form a second product mixture. Other embodiments are also included herein.

  本发明的实施例包括将脂质原料加工成各种产品。在一种实施例中，本发明包括一种处理脂质原料的方法，其中包括将脂质原料中的甘油三酯与水混合形成第一反应混合物，将第一反应混合物与第一金属氧化物催化剂接触，在大于200摄氏度的温度下形成包括游离脂肪酸和甘油的第一产品混合物，将游离脂肪酸与二元醇混合形成第二反应混合物，并将第二反应混合物与第二金属氧化物催化剂接触，在大于200摄氏度的温度下形成第二产品混合物。本发明还包括其他实施例。
• 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。
• THICKENER/GELLANT FOR OILY SUBSTANCE
  申请人：Mizutani, Genzo

  公开号：EP2208769A1

  公开（公告）日：2010-07-21

  The purpose of the invention is to provide a thickening and gelling agent that is easily dispersed into an oily substance such as a silicone oil in a small addition amount, is free of liquid separation, stably forms a thickened material or a gel state, and can prepare a thickened product or a gel having spreadability and free of sticky feeling and dry feeling. The invention provides a thickening and gelling agent for an oily substance containing the components (A) a modified product of alkoxytitanium or alkoxyzirconium with a carboxylic acid and a hydroxy compound, and (B) at least one silicone oil selected from a silicone oil having an amino group and a silicone oil having a carboxyl group; an oily composition and a cosmetic preparation, containing the thickening and gelling agent.

  本发明的目的是提供一种增稠剂和胶凝剂，该增稠剂和胶凝剂易于以较小的添加量分散到硅油等油性物质中，无液体分离，能稳定地形成增稠物质或凝胶状态，并能制备出具有铺展性、无粘稠感和干燥感的增稠产品或凝胶。本发明提供了一种油性物质的增稠剂和胶凝剂，其成分包括：（A）烷氧基钛或烷氧基锆与羧酸和羟基化合物的改性产物；（B）至少一种硅油，选自具有氨基的硅油和具有羧基的硅油；含有该增稠剂和胶凝剂的油性组合物和化妆品制剂。