diisopropyl-malonic acid | 1735-09-7

• 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: diisopropyl-malonic acid
• 英文别名: Diisopropyl-malonsaeure；Diisopropylmalonsaeure；Propanedioic acid, diisopropyl-；2,2-di(propan-2-yl)propanedioic acid
• CAS: 1735-09-7
• 化学式: C₉H₁₆O₄
• 分子量: 188.224
• InChiKey: CIBQKYNGEIFTDM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  diisopropyl-malonic acid 生成 3-甲基-2-丙-2-基丁酸
  参考文献：
  名称：

  Marshall, Journal of the Chemical Society, 1930, p. 2760

  摘要：

  DOI：
• 作为产物：
  描述：

  diisopropyl-malonic acid monomethyl ester 在 氢氧化钾 、 水 作用下， 生成 diisopropyl-malonic acid
  参考文献：
  名称：

  Marshall, Journal of the Chemical Society, 1930, p. 2760

  摘要：

  DOI：

文献信息

• [EN] AZETIDINES AND CYCLOBUTANES AS HISTAMINE H3 RECEPTOR ANTAGONISTS<br/>[FR] AZÉTIDINES ET CYCLOBUTANES COMME ANTAGONISTES DES RÉCEPTEURS H3 DE L'HISTAMINE
  申请人：EVOTEC NEUROSCIENCES GMBH

  公开号：WO2009135842A1

  公开（公告）日：2009-11-12

  The invention relates to compounds of formula (I) wherein R, R0, R1, m, n and X1 to X4 have the meaning as cited in the description and the claims. Said compounds are useful as Histamine H3 receptor antagonists. The invention also relates to pharmaceutical compositions, the preparation of such compounds as well as the production and use as medicament.

  本发明涉及具有式(I)的化合物，其中R，R0，R1，m，n和X1至X4如描述和权利要求中所引述的含义。所述化合物作为组胺H3受体拮抗剂是有用的。本发明还涉及药物组合物，以及此类化合物的制备以及作为药品的生产和使用。
• [EN] AMINO CYCLOBUTYLAMIDE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY<br/>[FR] MODULATEURS AMINO CYCLOBUTYLAMIDE DE L'ACTIVITE DU RECEPTEUR DE CHIMIOKINE
  申请人：MERCK & CO INC

  公开号：WO2004082682A1

  公开（公告）日：2004-09-30

  The present invention is directed to compounds of the formulas I and II : wherein R1, R2, R3, R4, R5, R6, R7, R8, R9, R10, R15, R16, R17, R18, R19, R25, R26, Y, Z, l, m, n and the broken lines are as defined herein which are useful as modulators of chemokine receptor activity. In particular, these compounds are useful as modulators of the chemokine receptor CCR-2.

  本发明涉及以下公式I和II的化合物：其中R1、R2、R3、R4、R5、R6、R7、R8、R9、R10、R15、R16、R17、R18、R19、R25、R26、Y、Z、l、m、n和虚线如本文所定义，这些化合物可用作趋化因子受体活性调节剂。特别地，这些化合物可用作趋化因子受体CCR-2的调节剂。
• FLUORINATED DIHYDROTETRABENAZINE ETHER IMAGING AGENTS AND PROBES
  申请人：Amarasinghe Kande Kankanamalage Dayarathna

  公开号：US20090110636A1

  公开（公告）日：2009-04-30

  The present invention provides novel fluorinated ether compounds having structure I wherein R 1 is a C 2 -C 10 fluorinated aliphatic radical; R 2 is a C 1 -C 10 aliphatic radical, or a C 3 -C 10 cycloaliphatic radical; R 3 is hydrogen or a C 1 -C 10 aliphatic radical; and R 4 is hydrogen or a C 1 -C 10 aliphatic radical. The fluorinated ether compounds are provided in both racemic and enantiomerically enriched forms and may comprise either or both of fluorine-18 and fluorine 19. The fluorinated ether compounds are shown to possess high affinity for VMAT-2, a biomarker implicated in human diabetes. The fluorinated ether compounds comprising a fluorine-18 group are useful as PET imaging agents targeting the VMAT-2 biomarker. The non-radiolabeled fluorinated ether compounds are useful as probes for the discovery of PET imaging agents.

  本发明提供了具有结构I的新型氟化醚化合物，其中R1是C2-C10氟代脂肪基；R2是C1-C10脂肪基，或C3-C10环脂肪基；R3是氢或C1-C10脂肪基；R4是氢或C1-C10脂肪基。这些氟化醚化合物以消旋和对映富集形式提供，并且可能包含氟-18和氟-19中的任一个或两者。已证明这些氟化醚化合物具有高亲和力VMAT-2，这是与人类糖尿病有关的生物标志物。含有氟-18基团的氟化醚化合物可用作PET成像剂，以靶向VMAT-2生物标志物。非放射性标记的氟化醚化合物可用作发现PET成像剂的探针。
• INTERMEDIATES FOR FLUORINATED DIHYDROTETRABENAZINE ETHER IMAGING AGENTS AND PROBES
  申请人：Amarasinghe Kande Kankanamalage Dayarathna

  公开号：US20090111990A1

  公开（公告）日：2009-04-30

  The present invention provides novel fluorophilic compounds having structure VI wherein R 1 is a C 2 -C 20 aliphatic, a C 3 -C 20 cycloaliphatic, or a C 3 -C 20 aromatic radical comprising at least one functional group susceptible to reaction with nucleophilic fluoride ion or an electrophilic fluorinating agent; R 2 is a C 1 -C 10 aliphatic radical, or a C 3 -C 10 cycloaliphatic radical; R 3 is hydrogen or a C 1 -C 10 aliphatic radical; and R 4 is hydrogen or a C 1 -C 10 aliphatic radical. The fluorophilic compounds are provided in both racemic and enantiomerically enriched forms and are useful as intermediates in the preparation of novel PET imaging agents and probes useful in the discovery and performance assessment of PET imaging agents. The fluorophilic compounds are particularly useful in the preparation of PET imaging agents and probes having a high affinity for VMAT-2, a biomarker implicated in human diabetes and other illnesses such as Parkinson's disease.

  本发明提供了具有结构VI的新型亲氟化合物，其中R1是C2-C20脂肪族、C3-C20环脂族或含有至少一个易受亲核氟离子或亲电氟化试剂反应的官能团的C3-C20芳香基团；R2是C1-C10脂肪基或C3-C10环脂基；R3是氢或C1-C10脂肪基；R4是氢或C1-C10脂肪基。这些亲氟化合物以消旋和对映富集的形式提供，并可用作新型PET成像剂和用于发现和评估PET成像剂性能的探针的中间体。这些亲氟化合物在制备PET成像剂和具有高亲和力的VMAT-2的探针方面特别有用，VMAT-2是涉及人类糖尿病和帕金森病等其他疾病的生物标志物。
• INTERMEDIATES USEFUL FOR MAKING TETRABENAZINE COMPOUNDS
  申请人：Rishel Michael James

  公开号：US20080306269A1

  公开（公告）日：2008-12-11

  A method of preparing a tetrabenazine compound (TBZ compound) having structure I comprising the steps of reacting a nucleophilic alkenyl species with aldehyde compound II and oxidizing the resultant allylic alcohol to provide enone III. The protecting group P 1 on the tetrahydroisoquinoline nitrogen is removed and the resultant deprotected intermediate is induced to undergo an amino cyclization reaction to provide a product TBZ compound having structure I. The method may be used to prepare either enantiomeric form of tetrabenazine; (+)-tetrabenazine or (−)-tetrabenazine. Alternatively the method may be adapted to provide a mixture enriched in one tetrabenazine enantiomer, a racemic mixture, or a diastereomeric mixture of tetrabenazine compounds. In addition, the present invention provides novel synthetic intermediate compositions which may be used to prepare either or both enantiomers of tetrabenazine, derivatives of tetrabenazine, and analogs of tetrabenazine.

  一种制备结构I的四苯异赭曲嗪化合物（TBZ化合物）的方法，包括以下步骤：将亲核烯基物种与醛化合物II反应，并氧化所得的烯丙醇以提供烯酮III。去除四氢异喹啉氮上的保护基P1，并使去保护的中间体发生氨基环化反应，以提供具有结构I的产品TBZ化合物。该方法可用于制备四苯异赭曲嗪的任一对映体形式；（+）-四苯异赭曲嗪或（-）-四苯异赭曲嗪。另外，该方法可被改进以提供富含一种四苯异赭曲嗪对映体的混合物、外消旋混合物或四苯异赭曲嗪化合物的非对映异构体混合物。此外，本发明提供了可用于制备四苯异赭曲嗪的任一或两种对映体、四苯异赭曲嗪衍生物和四苯异赭曲嗪类似物的新型合成中间体组合物。