富马酸单丁酯 | 16062-88-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 富马酸单丁酯
• 英文名称: Butyl fumarate
• 英文别名: Fumaric acid monobutyl ester；mono-n-butyl maleate；Fumarsaeure-mono-n-butylester；Monobutyl fumarate；(E)-4-butoxy-4-oxobut-2-enoic acid
• CAS: 16062-88-7
• 化学式: C₈H₁₂O₄
• mdl: MFCD00040407
• 分子量: 172.181
• InChiKey: UTOVMEACOLCUCK-SNAWJCMRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  12
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2918990090

反应信息

• 作为反应物：
  描述：

  富马酸单丁酯 、 2-((S)-4-(7-(8-methylnaphthalen-1-yl)-2-(((S)-1-methylpyrrolidin-2-yl)methoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperazin-2-yl)acetonitrile 在 N,N-二异丙基乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以8 mg的产率得到butyl (E)-4-[(S)-2-(cyanomethyl)-4-[7-(8-methylnaphthalen-1-yl)-2-{[(S)-1-methylpyrrolidin-2-yl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-4-oxobut-2-enoate
  参考文献：
  名称：

  Kras-G12C抑制剂杂环化合物

  摘要：

  本申请涉及一类式I所示Kras‑G12C抑制剂杂环化合物，及其制备方法和该类化合物在肿瘤疾病，如肺癌、结直肠癌和胰腺癌等中的预防和治疗用途。在制备过程中，通过SN2反应、上保护、偶联反应、脱保户、缩合反应等一系列反应，得到通式化合物I。

  公开号：

  CN113004269A
• 作为产物：
  描述：

  富马酸 、 正丁醇 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.67h， 以8%的产率得到富马酸单丁酯
  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

• [EN] POLYGLYOXYLATES, MANUFACTURE AND USE THEREOF<br/>[FR] POLYGLYOXYLATES, LEUR PRODUCTION ET LEUR UTILISATION
  申请人：UNIV WESTERN ONTARIO

  公开号：WO2015168809A1

  公开（公告）日：2015-11-12

  Self-immolative polymers degrade by an end-to-end depolymerisation mechanism in response to the cleavage of a stabilizing end-cap from the polymer terminus. Examples include homopolymers, mixed polymers including block copolymers, suitable for a variety of applications. A polyglyoxylate can be end-capped or capped with a linker as in a block copolymer.

  自焚式聚合物通过从聚合物末端切割稳定端盖，以端到端解聚机制进行降解。例如包括均聚物、混合聚合物包括区块共聚物，适用于各种应用。聚乙二醇酸可以端接或与连接剂如区块共聚物一样封端。
• [EN] NOVEL TRANSITION METAL COMPLEXES, THEIR PREPARATION AND USE<br/>[FR] NOUVEAUX COMPLEXES DE MÉTAUX DE TRANSITION, LEUR PRÉPARATION ET UTILISATION
  申请人：LANXESS DEUTSCHLAND GMBH

  公开号：WO2014187973A1

  公开（公告）日：2014-11-27

  Novel transition metal complexes are provided which represent viable catalysts for a broad variety of reactions such as hydrogenation reactions and metathesis reactions. Novel preparation processes are made available via unprecedented routes inter alia not involving structures according to Grubbs I or Grubbs II catalysts.

  提供了新型过渡金属配合物，这些配合物可作为广泛反应的催化剂，如加氢反应和醇醚交换反应。通过前所未有的途径提供了新颖的制备方法，其中不涉及Grubbs I或Grubbs II催化剂的结构。
• COALESCENT FOR AQUEOUS COMPOSITIONS
  申请人：Van DYK Antony Keith

  公开号：US20120052210A1

  公开（公告）日：2012-03-01

  A coalescent composition selected from 1,3-(C 6 -C 12 alkyloxy)-2-propanol, 1,1′-oxybis[3-(C 6 -C 12 alkyloxy)]-2-propanol, and mixtures thereof is provided. Preferred coalescents are 1,3-(decyloxy)-2-propanol and 1,1′-oxybis[3-(heptyloxy)]-2-propanol. A method for forming glycerol diethers and diglycerol diethers, an aqueous coating composition including the coalescent compositions and a method for forming a coating are also provided.

  提供了一种从1,3-(C6-C12烷氧基)-2-丙醇、1,1′-氧双[3-(C6-C12烷氧基)]-2-丙醇和它们的混合物中选出的凝聚组合物。优选的凝聚剂是1,3-(癸氧基)-2-丙醇和1,1′-氧双[3-(庚氧基)]-2-丙醇。还提供了一种形成甘油二醚和二甘油二醚的方法，包括含有凝聚组合物的水性涂料组合物以及形成涂层的方法。
• Compound having silsesquioxane skeleton and its polymer
  申请人：Inagaki Jyun-ichi

  公开号：US20050009982A1

  公开（公告）日：2005-01-13

  The present invention relates to a compound represented by Formula (1) and a polymer obtained using the compound: wherein R 1 is phenyl which may have substituents, Q 1 is hydrogen, halogen, alkyl having 1 to 10 carbon atoms, cyclopropyl, cyclobutyl, cyclopentyl, cyclohexyl, cyclohexenyl or phenyl in which optional hydrogen may be replaced by halogen or alkyl having 1 to 5 carbon atoms, and Q 2 is a group represented by Formula (2) wherein the code < represents a bonding point with silicon, l, m, n and p are independently 0, 1, 2 or 3, A 1 to A 4 are independently a single bond, 1,4-cyclohexylene, 1,4-cyclohexenylene, a condensed ring group having 6 to 10 carbon atoms which is a divalent group, or 1,4-phenylene, Z 0 to Z 3 are independently a single bond, —CH═CR—, —C≡C—, —COO—, —OCO—, or alkylene having 1 to 20 carbon atoms, and Z 4 is a single bond, —CH═CH—, —C≡C—, —COO—, —OCO—, or alkylene having 1 to 20 carbon atoms. And Y 1 in Formula (1) is the group defined in Claim 1.

  本发明涉及一种由式（1）表示的化合物和使用该化合物获得的聚合物：其中R1是苯基，可能具有取代基；Q1是氢、卤素、具有1至10个碳原子的烷基、环丙基、环丁基、环戊基、环己基、环己烯基或苯基，其中可选的氢原子可被卤素或具有1至5个碳原子的烷基取代；Q2是由式（2）表示的基团，其中代码<表示与硅的连接点，l、m、n和p独立地为0、1、2或3，A1至A4独立地为单键、1,4-环己亚基、1,4-环己烯亚基、具有6至10个碳原子的缩合环基团，为二价基团，或1,4-苯亚基，Z0至Z3独立地为单键、—CH═CR—、—C≡C—、—COO—、—OCO—或具有1至20个碳原子的烷基，Z4为单键、—CH═CH—、—C≡C—、—COO—、—OCO—或具有1至20个碳原子的烷基。式（1）中的Y1是权利要求1中定义的基团。
• SURFACTANT COMPOSITIONS AND USE FOR AQUEOUS COMPOSITIONS
  申请人：Dow Global Technologies LLC

  公开号：US20140080745A1

  公开（公告）日：2014-03-20

  A surfactant composition selected from the group consisting of; (R 1 O)CH 2 CH(OCH 2 CH 2 ) 1-20 OHCH 2 (OR 2 ) and mixtures thereof; wherein at least one of R1 and R2 are secondary alkyl groups including from 3 to 9 Carbon atoms; an aqueous coating composition including an aqueous polymeric dispersion; and certain other compositions including the surfactant composition are provided. Also provided is a method for forming a coating.

  提供一种从以下组合中选择的表面活性剂组合；(R1O)CH2CH(OCH2CH2)1-20OHCH2(OR2)及其混合物；其中R1和R2中至少有一个是包括3至9个碳原子的次烷基基团；包括水性聚合物分散体的水性涂料组合物；以及包括表面活性剂组合物的某些其他组合物。还提供了一种形成涂层的方法。