DL-苹果酸二甲酯 | 1587-15-1

• 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 - 有机酸及其衍生物 - 羟基酸及其衍生物
• 中文名称: DL-苹果酸二甲酯
• 中文别名: -苹果酸二甲酯；L-苹果酸二甲酯
• 英文名称: Dimethyl malate
• 英文别名: malic acid dimethyl ester；dimethyl 2-hydroxybutanedioate
• CAS: 1587-15-1
• 化学式: C₆H₁₀O₅
• mdl: MFCD00025868
• 分子量: 162.142
• InChiKey: YSEKNCXYRGKTBJ-UHFFFAOYSA-N

物化性质

• 沸点：
  205°C(lit.)
• 密度：
  1.224±0.06 g/cm3(Predicted)
• LogP：
  -0.719 (est)
• 保留指数：
  1097.3

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  11
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.666
• 拓扑面积：
  72.8
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 安全说明：
  S26,S36
• 危险类别码：
  R36/37/38
• 储存条件：
  室温且干燥

反应信息

• 作为反应物：
  描述：

  DL-苹果酸二甲酯 在 氯仿 、 五溴化磷 作用下， 生成 dimethyl 2-bromosuccinate
  参考文献：
  名称：

  Walden, Chemische Berichte, 1895, vol. 28, p. 1295,1296

  摘要：

  DOI：
• 作为产物：
  描述：

  2-氧代琥珀酸二甲酯 在 甲醇 、 镍 作用下， 生成 DL-苹果酸二甲酯
  参考文献：
  名称：

  DE738922

  摘要：

  公开号：

文献信息

• CYCLOPENTENYL PURINE DERIVATIVE OR SALT THEREOF
  申请人：Fujifilm Corporation

  公开号：US20210155644A1

  公开（公告）日：2021-05-27

  An object of the present invention is to provide a compound exhibiting an excellent drug efficacy as an anti-adenoviral agent, and an anti-adenoviral agent. The present invention provides an anti-adenoviral agent including a compound represented by General Formula [1] (in the formula, R 1 represents a hydrogen atom, a halogen atom, an amino group which may be substituted, a monocyclic nitrogen-containing heterocyclic ring group which may be substituted (provided that a nitrogen atom forming the ring is bonded to a carbon atom to which R 1 is bonded), a monocyclic nitrogen- and oxygen-containing heterocyclic ring group which may be substituted (provided that a nitrogen atom forming the ring is bonded to a carbon atom to which R 1 is bonded), a C 1-6 alkoxy group which may be substituted, a hydroxyl group which may be protected, or the like; R 2 represents a hydrogen atom or an amino protecting group; R 3 represents a C 1-20 alkoxy group which may be substituted, an aryloxy group which may be substituted, an amino group which may be substituted, or the like; R 4 represents a C 1-20 alkoxy group which may be substituted, an aryloxy group which may be substituted, an amino group which may be substituted, or the like; and X represents an oxygen atom or a sulfur atom) or a salt thereof.

  本发明的一个目的是提供一种作为抗腺病毒药剂具有优异药效的化合物，以及一种抗腺病毒药剂。本发明提供了一种包括由通式[1]表示的化合物的抗腺病毒药剂 （在公式中，R 1 表示氢原子、卤素原子、可能被取代的氨基、可能被取代的单环氮含杂环基团（前提是形成环的氮原子与R 1 结合的碳原子相结合）、可能被取代的单环氮和氧含杂环基团（前提是形成环的氮原子与R 1 结合的碳原子相结合）、可能被取代的C 1-6 烷氧基、可能被保护的羟基等；R 2 表示氢原子或氨基保护基团；R 3 表示可能被取代的C 1-20 烷氧基、可能被取代的芳氧基、可能被取代的氨基等；R 4 表示可能被取代的C 1-20 烷氧基、可能被取代的芳氧基、可能被取代的氨基等；X表示氧原子或硫原子）或其盐。
• [EN] THIENOPYRIDINE DERIVATIVES, PRODUCTION METHOD AND USE THEREOF<br/>[FR] DÉRIVÉS DE THIÉNOPYRIDINE, MÉTHODE DE PRODUCTION ET LEUR UTILISATION
  申请人：TAKEDA PHARMACEUTICAL

  公开号：WO2005111046A1

  公开（公告）日：2005-11-24

  A compound represented by the formula (I) wherein R is a hydrogen atom or a C1-4 alkyl group, and X is CH2, O or S, or a salt thereof. The present invention provides a novel thienopyridine derivative having an anti-inflammatory effect, a bone resorption suppressing effect, an immune cytokine production suppressing effect and the like, and useful as a pharmaceutical agent such as an agent for the prophylaxis or treatment of arthritis such as rheumatoid arthritis and the like, and the like, and the like.

  本发明提供了一种含有公式(I)所表示的化合物，其中R是氢原子或C1-4烷基团，X是CH2、O或S，或其盐。该发明提供了一种具有抗炎作用、抑制骨吸收作用、抑制免疫细胞因子产生作用等新颖的噻吩并吡啶衍生物，并可作为预防或治疗类风湿性关节炎等关节炎的药物等。
• Process for the stereoselective transformation of a diol to an alcohol
  申请人：Sepracor, Inc.

  公开号：US05189200A1

  公开（公告）日：1993-02-23

  An efficient and commerically-viable method for the stereoselective transformation of a diol to an alcohol is disclosed. The present method is particularly well-suited for the preparation of the unnatural D-isomer of malic acid or its derivatives from the abundant naturally occurring L-tartaric acid or derivatives thereof.

  一种高效且商业可行的立体选择性将二醇转化为醇的方法被披露。该方法特别适用于从丰富的天然存在的L-酒石酸或其衍生物制备人工D-异构体的苹果酸或其衍生物。
• [EN] TYK2 INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS DE TYK2 ET LEURS UTILISATIONS
  申请人：NIMBUS LAKSHMI INC

  公开号：WO2017040757A1

  公开（公告）日：2017-03-09

  The present invention provides compounds, compositions thereof, and methods of using the same for the inhibition of TYK2, and the treatment of TYK2-mediated disorders.

  本发明提供了化合物、其组合物以及使用这些化合物用于抑制TYK2和治疗TYK2介导的疾病的方法。
• [EN] DERIVATIVES OF HYDROXAMIC ACID AS METALLOPROTEINASE INHIBITORS<br/>[FR] DERIVES D'ACIDE HYDROXAMIQUE UTILISES COMME INHIBITEURS DE METALLOPROTEINASES
  申请人：VERNALIS OXFORD LTD

  公开号：WO2005019194A1

  公开（公告）日：2005-03-03

  Compounds of formula (I) are inhibitors of matrix metalloproteinases, and are of use in the treatment of, for example fibrotic disease, multiple sclerosis, emphysemia, bronchitis and asthma: formula (I) wherein Ar represents an optionally substituted aryl, heteroaryl, C3-C8 cycloalkyl or heterocycloakyl group; R represents hydrogen or C1-C6 alkyl, or C3-C6 cycloalkyl; Alk represents a divalent C1-C5 alkylene or C2-C5 alkenylene radical; and R1 and R2 taken together with the nitrogen atom to which they are attached form a first heterocycloalkyl ring which is optionally fused to a second C3-C8 cycloalkyl or heterocycloalkyl ring, the said first and second rings being optionally substituted by at least one group of formula (II): formula (II) wherein m, p and n are independently 0 or 1; Z represents, hydrogen, or an optionally substituted carbocyclic or heterocyclic ring of from 5 to 7 ring atoms which is optionally fused to another optionally substituted carbocyclic or heterocyclic ring of from 5 to 7 ring atoms; Alk1 and Alk2 independently represent optionally substituted divalent C1-C3 alkylene radicals; X represents -0-, -S-, -S(O)-, -S(O2)-, -C(=O)-, -NH-, -NR3-, -S(O2)NH-, -S(O2)NR3-, -NHS(O2)-, or -NR3S(O2)-, where R3 is C1-C3 alkyl.

  式(I)的化合物是基质金属蛋白酶的抑制剂，并可用于治疗纤维化疾病、多发性硬化症、肺气肿、支气管炎和哮喘等疾病：式(I)中Ar代表可选择地取代的芳基、杂环芳基、C3-C8环烷基或杂环烷基基团；R代表氢或C1-C6烷基，或C3-C6环烷基；Alk代表二价的C1-C5烷基或C2-C5烯基基团；R1和R2与它们连接的氮原子一起形成第一杂环烷基环，该环可选择地与第二个C3-C8环烷基或杂环烷基环融合，所述的第一和第二环可选择地被至少一个式(II)的基团取代：式(II)中m、p和n独立地为0或1；Z代表氢，或由5至7个环原子组成的可选择地取代的碳环或杂环环，该环可选择地与另一个由5至7个环原子组成的可选择地取代的碳环或杂环环融合；Alk1和Alk2独立地代表可选择地取代的二价的C1-C3烷基基团；X代表-0-、-S-、-S(O)-、-S(O2)-、-C(=O)-、-NH-、-NR3-、-S(O2)NH-、-S(O2)NR3-、-NHS(O2)-或-NR3S(O2)-，其中R3为C1-C3烷基。

表征谱图