马来酸单丁酯 | 925-21-3

• 物质功能分类: 化学试剂 - 有机试剂 - 酯类
• 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: 马来酸单丁酯
• 中文别名: 顺丁烯二酸单丁酯；(Z)-2-丁烯二酸单丁酯
• 英文名称: mon-n-butyl maleate
• 英文别名: monobutyl maleate；Monobutylmaleat；Mono-n-butylmaleat；maleic acid monobutyl ester；(Z)-4-butoxy-4-oxobut-2-enoic acid
• CAS: 925-21-3
• 化学式: C₈H₁₂O₄
• 分子量: 172.181
• InChiKey: UTOVMEACOLCUCK-PLNGDYQASA-N

物化性质

• 熔点：
  -1.5°C
• 沸点：
  201°C
• 密度：
  1.099
• 闪点：
  >110°C
• LogP：
  1.39 at 30℃

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：

  马来酸单丁酯 在 氯化亚砜 作用下， 以 甲苯 为溶剂， 反应 2.0h， 生成 butyl (E)-4-chloro-4-oxo-2-butenoate
  参考文献：
  名称：

  Irreversible blockage of opioid receptor types by ester homologs of .beta.-funaltrexamine

  摘要：

  A series of ester homologues 2-5 of the mu receptor nonequilibrium antagonist beta-funaltrexamine (1, beta-FNA) was synthesized. These ligands were of interest in our investigation of the relationship between the structure of the ester function and the ability to irreversibly block mu opioid receptors. While all of the ligands were potent reversible agonists in the guinea pig ileum (GPI) and mouse vas deferens (MVD) preparations, most appeared to behave as irreversible antagonists of morphine. The benzyl 5 and phenethyl 6 esters possessed irreversible mu antagonist potency that was of similar magnitude to that of beta-FNA in the GPI. In the MVD, all esters appeared to irreversibly block the agonist effect of morphine, but none of the compounds irreversibly antagonized [D-Ala2,D-Leu5]enkephalin to a significant degree. [3H]Dihydromorphine displacement studies revealed no relationship between the affinity of the esters 1-6 and the irreversible blockage of mu receptors in the GPI or MVD. Possible reasons for the observed structure-activity relationship are discussed.

  DOI：

  10.1021/jm00160a013
• 作为产物：
  描述：

  马来酸酐 、 titanium (IV) butoxide 生成 马来酸单丁酯
  参考文献：
  名称：

  Suvorov,A.L.; Spasskii,S.S., Doklady Chemistry, 1964, vol. 157, p. 741 - 743

  摘要：

  DOI：

文献信息

• [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。
• [EN] PHOTOALIGNING MATERIAL<br/>[FR] MATÉRIAU DE PHOTOALIGNEMENT
  申请人：ROLIC AG

  公开号：WO2013017467A1

  公开（公告）日：2013-02-07

  The present invention relates to a copolymer for the photoalignment of liquid crystals comprising a photoreactive group as given below in formula (I), compositions thereof, and its use for optical and electro optical devices, especially liquid crystal devices (LCDs).

  本发明涉及一种共聚物，用于液晶的光调向，包括如下所示的具有光反应性基团的化合物（I）的公式，以及其组合物，以及其在光学和电光设备，特别是液晶设备（LCD）中的使用。
• [EN] TRIAZINE DERIVATIVES AS UV ABSORBERS<br/>[FR] DERIVES DE LA TRIAZINE UTILISES COMME ABSORBANTS U.V.
  申请人：CIBA SC HOLDING AG

  公开号：WO2004064797A1

  公开（公告）日：2004-08-05

  The present invention relates to new compounds of formula (I), wherein R1, R2, R3, R4, R5, R6, R7, and R8 independently from each other are hydrogen; C1-C18alkyl; C2-C18alkenyl; C5-C7,cycloalkyl; C1-C6alkylene-C5- C7,cycloalkyl; R9 is hydrogen; C1-C18alkyl; C2-C18alkenyl; C5-C7cycloalkyl; C1-C6alkylene-C5-C7cycloalkyl; C6-C10aryl; A is-S-; -O- or -NR10-, wherein R10 has the same meanings as R9; X is COOR11; CONR12R13; SO3,R14; or SO2NR15R16, wherein R11, R12,R13, R14,R15, and R16, have independently from each other the same meanings as R9; to their preparation and to their use as UV absorbers in cosmetic and pharmaceutical formulations.

  本发明涉及公式（I）的新化合物，其中R1、R2、R3、R4、R5、R6、R7和R8彼此独立地是氢；C1-C18烷基；C2-C18烯基；C5-C7环烷基；C1-C6烷基-C5-C7环烷基；R9是氢；C1-C18烷基；C2-C18烯基；C5-C7环烷基；C1-C6烷基-C5-C7环烷基；C6-C10芳基；A是-S-；-O-或-NR10-，其中R10具有与R9相同的含义；X是COOR11；CONR12R13；SO3R14；或SO2NR15R16，其中R11、R12、R13、R14、R15和R16彼此独立地具有与R9相同的含义；以及它们的制备和它们作为化妆品和药用配方中的紫外线吸收剂的用途。
• Durable coating compositions containing novel aspartic amine compounds
  申请人：Lenges Peter Christian

  公开号：US20060155149A1

  公开（公告）日：2006-07-13

  A coating composition comprising a binder of a. polyisocyanate crosslinking agent; b. an isocyanate-reactive component having at least one compound having the following formula (I) including isomers and mixtures of isomers thereof: wherein R, R 1 , R 2 , X, Y, Z, m, n, p, q, r and s are described in the specification and a two component composition formulated with the above constituents and substrates, such as, automotive and truck bodies and parts coated with the novel composition and novel amine and/or hydroxy amine compounds are also part of the invention.

  一种涂料组合物，包括：a. 聚异氰酸酯交联剂作为粘合剂；b. 至少含有一个如下公式(I)的化合物作为异氰酸酯反应组分，包括其同分异构体和同分异构体混合物：其中R、R1、R2、X、Y、Z、m、n、p、q、r和s在说明书中有描述；以及以上述组分和基材，如汽车和卡车车身及部件涂覆有该新颖组合物的两部分组合物，新颖的胺和/或羟基胺化合物也是发明的部分。
• [EN] SHORT-CHAIN FATTY ACID HEXOSAMINE ANALOGS AND THEIR USE IN TISSUE ENGINEERING APPLICATIONS<br/>[FR] ANALOGUES HEXOSAMINE ACIDE GRAS À CHAÎNE COURTE ET LEUR UTILISATION DANS DES APPLICATIONS EN GÉNIE TISSULAIRE
  申请人：UNIV JOHNS HOPKINS

  公开号：WO2014164723A1

  公开（公告）日：2014-10-09

  A new class of molecules, C1-OH tributanoylated hexosamines, including, for example, Ga1NAc, G1cNAc and ManNAc, are demonstrated to increase cartilage-like tissue accumulation by IL- 1β-stimulated chondrocytes. Furthermore, all three molecules reduced NFKB1 and ΙκΒα driven gene expression, consistent with NFκB inhibitory properties of these analogs. Ga1NAc-a exposure produced the greatest ECM accumulation by IL-Ιβ- stimulated chondrocytes. However, Ga1NAc-a exposure produced an opposite effect on MSC exposure, where a decrease in ECM accumulation was observed. These findings are in support of the function of NFκB signaling during limb development and growth plate chondrogenesis. The present invention shows the capability of this new class of hexosamine analogs as disease-modifying agents for treating cartilage damage.

  一种新的分子类别，C1-OH三丁酰化己糖胺，包括例如Ga1NAc、G1cNAc和ManNAc，已被证明能够通过IL-1β刺激的软骨细胞增加软骨样组织的积累。此外，这三种分子均减少了NFKB1和ΙκΒα驱动的基因表达，与这些类似物的NFκB抑制性质一致。Ga1NAc-a暴露产生了IL-Ιβ刺激的软骨细胞中最大的ECM积累。然而，Ga1NAc-a暴露在MSC暴露中产生了相反的效果，观察到ECM积累减少。这些发现支持了NFκB信号在肢体发育和生长板软骨发生过程中的功能。本发明展示了这一新类己糖胺类似物作为治疗软骨损伤的疾病修饰剂的能力。

表征谱图