Hexyl fumarate | 45125-88-0

• 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: Hexyl fumarate
• 英文别名: hexyl hydrogen fumarate；(2E)-4-(Hexyloxy)-4-oxo-2-butenoic acid；(E)-4-hexoxy-4-oxobut-2-enoic acid
• CAS: 45125-88-0
• 化学式: C₁₀H₁₆O₄
• 分子量: 200.235
• InChiKey: RNERBJNDXXEXTK-VOTSOKGWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  14
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  富马酸 、 正己醇 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.67h， 以24%的产率得到Hexyl fumarate
  参考文献：
  名称：

  Structure–activity relationships of trans-substituted-propenoic acid derivatives on the nicotinic acid receptor HCA2 (GPR109A)

  摘要：

  Nicotinic acid (niacin) has been used for decades as an antidyslipidemic drug in man. Its main target is the hydroxy-carboxylic acid receptor HCA2 (GPR109A), a G protein-coupled receptor. Other acids and esters such as methyl fumarate also interact with the receptor, which constituted the basis for the current study. We synthesized a novel series of substituted propenoic acids, such as fumaric acid esters, fumaric acid amides and cinnamic acid derivatives, and determined their affinities for the HCA2 receptor. We observed a rather restricted binding pocket on the receptor with trans-cinnamic acid being the largest planar ligand in our series with appreciable affinity for the receptor. Molecular modeling and analysis of the structure-activity relationships in the series suggest a planar trans-propenoic acid pharmacophore with a maximum length of 8 angstrom and out-of-plane orientation of the larger substituents. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.11.091

文献信息

• PROCESS FOR PREPARING IONIC LIQUIDS BY ANION EXCHANGE
  申请人：Massonne Klemens

  公开号：US20100217010A1

  公开（公告）日：2010-08-26

  Process for preparing salts of the formula I (B + ) n x A y− where B is a cation comprising at least one nitrogen atom, A is an anion and n is an integer from 1 to 3, x and y are each an integer from 1 to 3 and the product of x and y is equal to n, by reacting salts of the formula II (B + ) n x A y− where B and n, x and y are as defined above and C is a compound which has one or more carboxylate groups (referred to as carboxylate for short) and is different from A, with the ammonium salt of the anion A or with the protic acid of the anion A in the presence of ammonia.

  制备I(B+)nxAy的盐的过程-其中B是至少含有一个氮原子的阳离子，A是阴离子，n是1到3的整数，x和y分别是1到3的整数，且x和y的乘积等于n，通过反应II(B+)nxAy的盐来实现-其中B和n、x和y如上定义，C是一种具有一个或多个羧酸基团（简称为羧酸）且与A不同的化合物，与阴离子A的铵盐或其质子酸在氨的存在下反应。
• RESIN COMPOSITION, OPTICAL COMPENSATION FILM USING SAME, AND PRODUCTION METHOD FOR SAME
  申请人：TOSOH CORPORATION

  公开号：US20160115333A1

  公开（公告）日：2016-04-28

  A resin composition including from 30 to 99 wt % of a cellulose-based resin represented by the following formula (1) and from 70 to 1 wt % of a fumaric acid ester polymer containing 30 mol % or more of a fumaric acid diester residue unit represented by the following formula (2); an optical compensation film using the same; and a production method of the optical compensation film. (wherein R 1 to R 3 represent a substituent having a carbon number of 1 to 12, and R 4 and R 5 represent an alkyl group having a carbon number of 1 to 12).

  一种树脂组合物，包括从30到99重量％的纤维素基树脂，其由以下公式（1）表示，并且包括从70到1重量％的富马酸酯聚合物，其中含有30摩尔％或更多的富马酸二酯残基单元，其由以下公式（2）表示。使用相同的光学补偿膜和光学补偿膜的生产方法。（其中R1至R3代表具有1至12个碳原子的取代基，而R4和R5代表具有1至12个碳原子的烷基）。
• Use of fumaric acid polymers as antiscalants, and processes for their preparation; polymeric intermediates of mono or dialkyl fumarate, and processes for their production
  申请人：PFIZER INC.

  公开号：EP0032041A2

  公开（公告）日：1981-07-15

  A method for controlling scale deposition from water containing scale forming impurities, which comprises: treating the water with at least about 0.5 part per million of a polymer of fumaric acid with from 0 to about 50 mole percent of at least one hydrophilic monomer selected from acrylamide, methacrylamide, acrylic acid, methacrylic acid or maleic anhydride and from 0 to about 15 mole percent of at least one ethylenically unsaturated, hydrophobic monomer, the average molecular weight of the polymer being from about 300 to about 10,000; processes for the production of said polymers; polymeric intermediates of mono or dialkyl fumarate, and processes for their production.

  一种控制含有成垢杂质的水中水垢沉积的方法，包括 用至少约 0.5% 的富马酸聚合物与 0 至约 50 摩尔%的至少一种亲水单体（选自丙烯酰胺、甲基丙烯酰胺、丙烯酸、甲基丙烯酸或马来酸酐）和 0 至约 15 摩尔%的至少一种乙烯不饱和疏水单体（聚合物的平均分子量为约 300 至约 10,000 摩尔%）处理水；生产所述聚合物的工艺；富马酸单烷基或二烷基聚合物中间体及其生产工艺。
• Polyolefinic succinimide polyamine alkyl acetoacetate adduct dispersants
  申请人：EXXON CHEMICAL PATENTS INC.

  公开号：EP0295789A2

  公开（公告）日：1988-12-21

  This invention is to dispersants containing polyolefinic succinimide polyamine alkyl acetoacetate adducts of the general formula: wherein Z¹ and Z³ are the same or different and are moities of the formula: Z² is a moiety of the formula: wherein R², R³ and R⁴ are the same or different and are alkylene of from 1 to 6 carbon atoms, m is an integer of from 1 to 5, each A′ is independently selected from the group consisting of H, A and the moiety: wherein A˝ is H or A, R³ is as defined above, R⁶ is alkylene of from 1 to 6 carbon atoms, T¹ and T² are the same or different and each comprises a member selected from the group consisting of moieties of the formula: wherein B′ is substituted or unsubstituted alkyl or aryl-containing group, n¹ is an integer of 0 to 10, n² is an integer of 0 to 10, n³ is an integer of from 0 to 10, n⁴ is an integer of from 0 to 10, with the provisos that the sum of n¹, n², n³ and n⁴ is from 3 to 10 and the sum of n¹, n³ and n⁴ is at least 1, wherein R¹ and R⁵ are independently an olefin polymer having a number average molecular weight (Mn) between about 200 and 3,500, and wherein A comprises a tautomeric substituent of the formula: wherein R¹⁰ is substituted or unsubstituted alkyl or aryl containing groups, with the proviso that at least one of the A′ or A˝ groups comprises the tautomeric substituent.

  本发明涉及含有通式如下的聚烯烃琥珀酰亚胺多胺烷基乙酰乙酸酯加合物的分散剂： 其中Z¹和Z³相同或不同，并且是式中的分子： Z² 是式中的分子： 其中 R²、R³ 和 R⁴ 相同或不同，且为 1 至 6 个碳原子的亚烷基，m 为 1 至 5 的整数，每个 A′独立地选自由 H、A 和分子组成的组： 其中 A˝ 是 H 或 A，R³ 如上文所定义，R⁶ 是 1 至 6 个碳原子的亚烷基，T¹ 和 T² 是相同或不同的，且各自包含选自由式分子组成的组中的一个成员： 其中 B′是取代或未取代的烷基或含芳基的基团，n¹ 是 0 至 10 的整数，n² 是 0 至 10 的整数，n³ 是 0 至 10 的整数，n⁴ 是 0 至 10 的整数，但 n¹、n²、n³ 和 n⁴ 的总和为 3 至 10，且 n¹、n³ 和 n⁴ 的总和至少为 1，其中 R¹ 和 R⁵ 独立地为烯烃聚合物，其平均分子量（Mn）在约 200 至 3 500 之间，且 A 包含式中的同分异构体取代基： 其中 R¹⁰ 是取代或未取代的烷基或含芳基的基团，但 A′ 或 A˝ 基团中至少有一个包含同分异构体取代基。
• Amine compatibility aids in lubricating oil compositions
  申请人：EXXON CHEMICAL PATENTS INC.

  公开号：EP0294045A2

  公开（公告）日：1988-12-07

  This invention is to lubricating or fuel oil compositions containing amine compatibility aids. The amine compatibility additives are especially useful in stabilizing (or "compatibilizing") concentrates, lubricating oil or fuel oil compositions which contain copper antioxidants, high molecular weight dispersants, high total base number detergents, and various antiwear friction modifier materials. These materials may, in some circumstances, replace at least a portion of previously used compatibility aids and antioxidants.

  本发明涉及含有胺相容性添加剂的润滑油或燃油组合物。 胺类相容添加剂特别适用于稳定（或 "相容"）含有铜抗氧化剂、高分子量分散剂、高总碱数洗涤剂和各种抗磨损摩擦改进剂材料的浓缩物、润滑油或燃料油组合物。在某些情况下，这些材料至少可以取代部分以前使用的相容性助剂和抗氧化剂。