二(2-羟基乙基)丁二酸酯 | 10283-83-7

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 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: 二(2-羟基乙基)丁二酸酯
• 英文名称: bis(2-hydroxyethyl) butanedioate
• 英文别名: Bis(2-hydroxyethyl) succinate
• CAS: 10283-83-7
• 化学式: C₈H₁₄O₆
• 分子量: 206.196
• InChiKey: ZVAJQKOBULJJEX-UHFFFAOYSA-N

物化性质

• 沸点：
  176-180 °C(Press: 0.001 Torr)
• 密度：
  1.268±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.9
• 重原子数：
  14
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  93.1
• 氢给体数：
  2
• 氢受体数：
  6

安全信息

• 海关编码：
  2918199090
• 储存条件：
  2-8℃

反应信息

• 作为反应物：
  描述：

  2-溴-2-甲基丙酰溴 、 二(2-羟基乙基)丁二酸酯 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 0.17h， 以84%的产率得到bis(2-(2-bromo-2-methylpropanoyloxy)ethyl) succinate
  参考文献：
  名称：

  Masked Cyanoacrylates Unveiled by Mechanical Force

  摘要：

  Mechanical damage of polymers is often a destructive and irreversible process. However, desirable outcomes may be achieved by controlling the location of chain cleavage events through careful design and incorporation of mechanically active chemical moieties known as mechanophores. It is possible that mechanophores can be used to generate reactive intermediates that can autopolymerize or cross-link, thus healing mechanically induced damage. Herein we report the generation of reactive cyanoacrylate units from a dicyanocyclobutane mechanophore located near the center of a polymer chain. Because cyanoacrylates (which are used as monomers in the preparation of superglue) autopolymerize, the generated cyanoacrylate-terminated polymers may be useful in self-heating polymers. Sonication studies of polymers with the mechanophore incorporated into the chain center have shown that selective cleavage of the mechanophore occurs. Trapping experiments with an amine-based chromophore support cyanoacrylate formation. Additionally, computational studies of small-molecule models predict that force-induced bond cleavage should occur with greater selectivity for the dicyanocyclobutane mechanophore than for a control molecule.

  DOI：

  10.1021/ja1008932
• 作为产物：
  描述：

  丁二酸 、 乙二醇 在 硫酸 作用下， 反应 18.0h， 以45.36%的产率得到二(2-羟基乙基)丁二酸酯
  参考文献：
  名称：

  [EN] REVERSIBLE LINKERS AND USE THEREOF
  [FR] LIEURS RÉVERSIBLES ET LEUR UTILISATION

  摘要：

  本文披露了用于蛋白质治疗制备和传递的组合物和方法，更具体地涉及可逆连接剂及其使用。

  公开号：

  WO2019050977A1

文献信息

• [EN] THERAPEUTIC PROTEIN COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME<br/>[FR] COMPOSITIONS PROTÉIQUES THÉRAPEUTIQUES ET PROCÉDÉS DE PRÉPARATION ET D'UTILISATION DE CELLES-CI
  申请人：TORQUE THERAPEUTICS INC

  公开号：WO2019050978A1

  公开（公告）日：2019-03-14

  Disclosed herein are compositions and methods for preparation and use of protein therapeutics, and more particularly protein clusters or backpacks having a plurality of therapeutic protein monomers reversibly crossed-linked by biodegradable linkers.

  本文披露了关于蛋白质治疗剂的组成物和制备方法，更具体地说是具有多种治疗蛋白单体的蛋白簇或背包，其通过可生物降解的连接剂可逆交联。
• POLYMER FILM, RETARDATION FILM, POLARIZING PLATE, LIQUID CRYSTAL DISPLAY, AND COMPOUND
  申请人：FUJIFILM Corporation

  公开号：US20160159750A1

  公开（公告）日：2016-06-09

  Provided is a polymer film containing at least one of a compound represented by formula (1) of hydrates, solvates, or salts thereof. Y is a methine group or nitrogen atom. Q a , Q b , and Q c are a single bond or a divalent linking group. R a , R b , and R c , are hydrogen atom, alkyl group, alkenyl group, alkynyl group, aryl group, cyano group, halogen group, or heterocyclic group. X 2 is a single bond or a divalent linking group. X 1 is a single bond or a predetermined divalent linking group. R 1 and R 2 are a hydrogen atom, alkyl group, alkenyl group, alkynyl group, aryl group, or heterocyclic group Formula (1)

  提供的是一种聚合物薄膜，其中至少包含一种由式（1）表示的化合物的水合物、溶剂合物或盐类。Y是一个亚甲基基团或氮原子。Qa、Qb和Qc是单键或二价连接基团。Ra、Rb和Rc是氢原子、烷基基团、烯基基团、炔基基团、芳基、氰基、卤素基或杂环基。X2是单键或二价连接基团。X1是单键或预定的二价连接基团。R1和R2是氢原子、烷基基团、烯基基团、炔基基团、芳基或杂环基。Formula (1)
• [EN] REACTION MEDIUM CONTAINING WATER-SURFACTANT MIXTURE<br/>[FR] MILIEU RÉACTIONNEL CONTENANT UN MÉLANGE EAU-SURFACTANT
  申请人：NOVARTIS AG

  公开号：WO2017168303A1

  公开（公告）日：2017-10-05

  The present invention is directed to reaction mixtures comprising a water-surfactant mixture and a co-solvent. This technology reduced the amount of organic solvents needed for performing chemical reactions. Furthermore, compared to reaction mixtures lacking the co-solvent, solvation of the reactants and products of the chemical reaction is greatly enhanced, leading to a significantly improved yield, purity, reproducibility and robustness.

  本发明涉及包含水-表面活性剂混合物和共溶剂的反应混合物。这项技术减少了进行化学反应所需的有机溶剂量。此外，与缺乏共溶剂的反应混合物相比，化学反应的反应物和产物的溶解度大大提高，导致产率、纯度、可重复性和鲁棒性显着提高。
• [EN] HYDROGENATION PRODUCTS FROM BIOLOGICALLY-DERIVED CARBOXYLIC-ACID ESTERS<br/>[FR] PRODUITS D'HYDROGÉNATION PROVENANT D'ESTERS D'ACIDES CARBOXYLIQUES DÉRIVÉS BIOLOGIQUEMENT
  申请人：ARCHER DANIELS MIDLAND CO

  公开号：WO2014099431A1

  公开（公告）日：2014-06-26

  The production of organic acids in low-cost, high-efficiency fermentation system makes available a new route to chemical production from biomass. A process for producing a hydrogenation product involving carboxylic acid esters recovered directly from a fermentation process is described.

  在低成本、高效率的发酵系统中生产有机酸，为从生物质生产化学品开辟了一条新途径。描述了一种涉及从发酵过程中直接回收的羧酸酯生产氢化产物的方法。
• [EN] BIOCATALYTIC SYNTHESIS OF OLODANRIGAN (EMA401) FROM 3-(2-(BENZYLOXY)-3-METHOXYPHENYL)PROPENOIC ACID WITH PHENYLALANINE AMMONIA LYASE<br/>[FR] SYNTHÈSE BIOCATALYTIQUE D'OLODANRIGAN (EMA401) À PARTIR D'ACIDE 3-(2- (BENZYLOXY)-3-MÉTHOXYPHÉNYL)PROPÉNOÏQUE À L'AIDE DE PHÉNYLALANINE AMMONIAC LYASE
  申请人：NOVARTIS AG

  公开号：WO2020012266A1

  公开（公告）日：2020-01-16

  The present invention relates to a first biocatalytic process for preparing olodanrigan ((S)-5-(benzyloxy)-2-(2,2-diphenylacetyl)-6- methoxy-l,2,3,4-tetrahydroisoquinoline-3-carboxylic acid; compound of formula (I); EMA401, PD 126055 ) by reacting 3-(2-(benzyloxy) -3-methoxyphenyl)propenoic acid (compound of formula (C3)) with an engineered phenylalanine ammonia lyase (PAL) and an amino donor to (S)-2-amino-3-(2-(benzyloxy)-3-methoxyphenyl)propanoic acid (compound of formula (C4)), and then reacting the compound of formula (C4) to olodanrigan, or a salt, or a solvate thereof. The present invention also relates to a second biocatalytic p rocess for preparing olodanrigan by reacting the compound of formula (C3) with an engineered phenylalanine ammonia lyase (PAL) and an amino donor, and then adding an aldehyde derivative to form (S)-5- (benzyloxy)-6-methoxy-l,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (compound of formula (C5)), and then reacting the compound of formula (C5) to olodanrigan, or a salt, or a solvate thereof. The present invention further relates to a process for preparing pharmaceuticals and pharmaceutical compositions from the compound of formula (I), or a salt, or a solvate thereof. Olodanrigan is used in the treatment of neuropathic and inflammatory pain.

  本发明涉及一种用于制备奥洛丹利甘（（S）-5-（苄氧基）-2-（2,2-二苯乙酰基）-6- 甲氧基-1,2,3,4-四氢异喹啉-3-羧酸；化合物的第一生物催化过程（I）；EMA401、PD 126055）的方法，通过将3-（2-（苄氧基）-3-甲氧基苯基）丙烯酸（化合物（C3））与经过改造的苯丙氨酸氨基裂解酶（PAL）和氨基供体反应，制备（S）-2-氨基-3-（2-（苄氧基）-3-甲氧基苯基）丙酸（化合物（C4）），然后将化合物（C4）反应制备奥洛丹利甘，或其盐或溶剂合物。本发明还涉及一种用于制备奥洛丹利甘的第二生物催化过程，通过将化合物（C3）与经过改造的苯丙氨酸氨基裂解酶（PAL）和氨基供体反应，然后添加醛类衍生物形成（S）-5-（苄氧基）-6-甲氧基-1,2,3,4-四氢异喹啉-3-羧酸（化合物（C5）），然后将化合物（C5）反应制备奥洛丹利甘，或其盐或溶剂合物。本发明还涉及一种从化合物（I）或其盐或溶剂合物制备药物和药物组合物的方法。奥洛丹利甘用于治疗神经病理性和炎症性疼痛。