2-hydroxy-2,3-dimethyl-succinic acid | 31519-20-7

• 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: 2-hydroxy-2,3-dimethyl-succinic acid
• 英文别名: 2-Hydroxy-2,3-dimethyl-bernsteinsaeure；2-Hydroxy-2.3-dimethyl-butandisaeure；2.3-Dimethyl-aepfelsaeure；2-Oxy-butan-dicarbonsaeure-(2.3)；α-Oxy-α.α'-dimethyl-bernsteinsaeure；β-Oxy-butan-β.γ-dicarbonsaeure；2-Hydroxy-2,3-dimethylbutanedioic acid
• CAS: 31519-20-7
• 化学式: C₆H₁₀O₅
• 分子量: 162.142
• InChiKey: WTIIULQJLZEHGZ-UHFFFAOYSA-N

物化性质

• 熔点：
  100 °C(Solv: ethyl acetate (141-78-6))
• 沸点：
  294.6±25.0 °C(Predicted)
• 密度：
  1.412±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  94.8
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-hydroxy-2,3-dimethyl-succinic acid 生成 2,3-二甲基马来酸酐
  参考文献：
  名称：

  Anschuetz, Justus Liebigs Annalen der Chemie, 1928, vol. 461, p. 168

  摘要：

  DOI：
• 作为产物：
  描述：

  2-甲基乙酰乙酸乙酯 生成 2-hydroxy-2,3-dimethyl-succinic acid
  参考文献：
  名称：

  Ott, Chemische Berichte, 1928, vol. 61, p. 2131

  摘要：

  DOI：

文献信息

• [EN] MACROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS<br/>[FR] COMPOSES MACROCYCLIQUES UTILES COMME PRODUITS PHARMACEUTIQUES
  申请人：EISAI CO LTD

  公开号：WO2003076424A1

  公开（公告）日：2003-09-18

  The present invention provides compounds having formula (I), and additionally provides methods for the synthesis thereof and methods for the use thereof in the treatment of various disorders including inflammatory or autoimmune disorders, and disorders involving malignancy or increased angiogenesis, wherein R1 -R11, t, X, Y, Z, and n are as defined herein.

  本发明提供具有式（I）的化合物，并另外提供其合成方法以及在治疗包括炎症性或自身免疫性疾病、恶性肿瘤或增加血管生成等各种疾病中使用的方法，其中R1-R11、t、X、Y、Z和n如本文所定义。
• PROCESS FOR PREPARING CEPHALOTAXINE ESTERS
  申请人：Robin Jean-Pierre

  公开号：US20120022250A1

  公开（公告）日：2012-01-26

  A process for preparing cephalotaxine esters corresponding to the following general formula I which comprises the cephalotaxine backbone: C(R 1 )(R 2 )(XH)COO[CTX] wherein CTX represents the cephalotaxine backbone, being optionally substituted and/or dehydrogenated, in which formula I, X is a heteroatom, preferably an oxygen, a sulfur or a nitrogen, R 1 and R 2 , taken separately, may be alkyl, cycloalkyl, heteroalkyl, aryl, heteroaryl, heterocycloalkyl or aralkyl groups, said groups being optionally interrupted by ester functions, or groups that can form one or more rings or a heterocycle together, consisting in bringing the corresponding cephalotaxine compound, or salts, isomers or tautomeric forms thereof, which is free or which is in the form of a metal alkoxide corresponding to the following general formula CTXOM, wherein CTX represents the cephalotaxine backbone, being optionally substituted and/or dehydrogenated, in which M is a hydrogen atom or a metal atom, into contact with a heterocyclic side chain precursor having both a bifunctional protected (bidentate) and activated (acylating) form of an acid bearing a hydrogenated heteroatom, in the alpha (α) position with respect to the carboxyl group, and corresponding to the following general formula: in which case W is a carbon, sulfur, silicon or bore atom, X, R 1 and R 2 have respectively the same meaning as above, it being possible for R 1 and R 2 to form a ring or a heterocycle together, and Y and Z are alkyl or heteroalkyl radicals, or monovalent heteroatoms, which may be identical or different, in an independent manner, or may fuse so as to give a divalent heteroatom, it being possible for the X—W bond to be covalent or ionic.

  一种制备对应以下一般式I的头叶松碱酯的方法，其中包括头叶松碱骨架：C(R1)(R2)(XH)COO[CTX]，其中CTX代表头叶松碱骨架，可以是可选择地取代和/或脱氢的，在该式I中，X是一个杂原子，优选为氧、硫或氮，R1和R2，分别取，可以是烷基、环烷基、杂基、芳基、杂芳基、杂环烷基或芳基，这些基团可以通过酯功能团中断，或者可以形成一个或多个环或一个杂环，包括将相应的头叶松碱化合物，或其盐、异构体或互变异构体形式，该化合物是自由的或以金属烷氧基的形式存在，对应以下一般式CTXOM，其中CTX代表头叶松碱骨架，可以是可选择地取代和/或脱氢的，在该式中，M是氢原子或金属原子，与具有双功能保护（双齿）和活化（酰化）形式的酸的α位上带有氢杂原子的杂环侧链前体接触，该酸与羧基相对应，并对应以下一般式：在这种情况下，W是碳、硫、硅或硼原子，X、R1和R2分别具有与上述相同的含义，R1和R2可以共同形成一个环或一个杂环，Y和Z是烷基或杂基基，或一价杂原子，可以独立地相同或不同，或者可以融合以形成二价杂原子，X—W键可以是共价键或离子键。
• ALTERNATIVE PATHWAYS TO ADIPIC ACID BY COMBINED FERMENTATION AND CATALYTIC METHODS
  申请人：BioAmber Inc.

  公开号：US20150225329A1

  公开（公告）日：2015-08-13

  Processes process for producing adipate or adipic acid using biological pathways and chemical catalyzes are disclosed. Homocitric acid may be a substrate in reaction pathways leading to adipic acid or a salt thereof.

  揭示了利用生物途径和化学催化剂生产己二酸盐或己二酸的过程。顺己二酸可能是通向己二酸或其盐的反应途径中的底物。
• PRODRUGS OF GUANFACINE
  申请人：Whomsley Rhys

  公开号：US20110065796A1

  公开（公告）日：2011-03-17

  Prodrugs of guanfacine with amino acids or short peptides, pharmaceutical compositions containing such prodrugs and a method for providing therapeutic benefit in the treatment of ADHD/ODD (attention deficient hyperactivity disorder and oppositional defiance disorder) with guanfacine prodrugs are provided herein. Additionally, methods for minimizing or avoiding the adverse gastrointestinal side effects associated with guanfacine administration, as well as improving the pharmacokinetics of guanfacine are provided herein.

  本文提供了具有氨基酸或短肽的瓜那非辛前药、含有这种前药的药物组合物以及一种利用瓜那非辛前药在治疗注意力缺陷多动障碍/反抗性违抗障碍（ADHD/ODD）中提供治疗益处的方法。此外，本文还提供了减少或避免与瓜那非辛给药相关的不良胃肠道副作用的方法，以及改善瓜那非辛的药代动力学的方法。
• BIOFUELS PRODUCTION FROM BIO-DERIVED CARBOXYLIC-ACID ESTERS
  申请人：Archer Daniels Midland Company

  公开号：US20170044086A1

  公开（公告）日：2017-02-16

  A process for producing biofuels compounds directly from carboxylic acid esters recovered from a fermentation system is described. The process involves taking a fermentation broth that has been reduced to a dry powder containing free organic acids; reacting the carboxylic acid in the powder with an alcohol solvent under a CO 2 -containing atmosphere in substantial absence of any other acid catalyst at a reaction temperature and pressure that corresponds to supercritical, critical or near critical conditions for at least one of the alcohol or CO 2 to synthesize an ester, then subjecting the ester to either hydrogenolysis or hydrogenation to form a biofuel.

  描述了一种直接从从发酵系统中回收的羧酸酯生产生物燃料化合物的过程。该过程涉及采取已经被还原为含有自由有机酸的干粉的发酵液；在含有CO2的气氛下，在几乎没有任何其他酸催化剂的条件下，以相应于至少一种醇或 的超临界、临界或接近临界条件的反应温度和压力中，将粉末中的羧酸与醇溶剂反应以合成酯，然后将酯经过氢解或加氢处理以形成生物燃料。