2,6-dimethyl-heptanedioic acid | 86797-93-5

• 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: 2,6-dimethyl-heptanedioic acid
• 英文别名: 2,6-Dimethylpimelic acid；Dimethyl-2,6-pimelinsaeure；2,6-Dimethyl-heptandisaeure；2,6-Dimethylheptanedioic acid
• CAS: 86797-93-5
• 化学式: C₉H₁₆O₄
• 分子量: 188.224
• InChiKey: MPOVRXTVHXDFII-UHFFFAOYSA-N

物化性质

• 熔点：
  63-70 °C(Solv: ligroine (8032-32-4))
• 沸点：
  160-161 °C(Press: 3.4 Torr)
• 密度：
  1.126±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  13
• 可旋转键数：
  6
• 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：

  2,6-dimethyl-heptanedioic acid 在 sodium azide 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 4.0h， 生成
  参考文献：
  名称：

  Enantioselective Cyclization of Racemic Supramolecular Polymers

  摘要：

  Homochiral hydrogen-bonded cyclic assemblies are formed in dilute solutions of racemic supramolecular polymers based on the quadruple hydrogen bonding 2-ureido-4[1H]-pyrimidinone unit, as observed by 1H NMR and SEC experiments. Preorganization of the monomers and the combined binding strength of the eight hydrogen bonds result in a very high stability of the cyclic aggregates with pronounced selectivity between homochiral and heterochiral cyclic species, usually only observed in crystalline or liquid crystalline phases.

  DOI：

  10.1021/ja034273g
• 作为产物：
  描述：

  heptane-2,2,6,6-tetracarboxylic acid 生成 2,6-dimethyl-heptanedioic acid
  参考文献：
  名称：

  Biellmann; Wennig, Bulletin de la Societe Chimique de France, 1971, vol. 5, p. 1676 - 1686

  摘要：

  DOI：

文献信息

• New Strategy for Forging Contiguous Quaternary Carbon Centers via H2O2-Mediated Ring Contraction
  作者：Weiqing Xie、Jiadong Hu、Xin Yu

  DOI：10.1055/s-0036-1590979

  日期：2017.12

  product synthesis. A general protocol that enables stereospecific construction of all stereoisomers of such a moiety remains elusive. In this article, we will discuss the oxidative ring contraction of all-substituted cyclic α-formyl ketones mediated by H2O2, which provides a facile access to the stereospecific construction of contiguous quaternary carbon centers.

  连续四元碳中心的立体有择构建构成了天然产物合成的主要挑战。使这种部分的所有立体异构体的立体特异性构建成为可能的通用协议仍然难以捉摸。在本文中，我们将讨论由 H2O2 介导的全取代环状 α-甲酰基酮的氧化环收缩，这为连续季碳中心的立体有择构建提供了便利。
• Stereospecific Construction of Contiguous Quaternary All-Carbon Centers by Oxidative Ring Contraction
  作者：Xin Yu、Jiadong Hu、Zhigao Shen、Hui Zhang、Jin-Ming Gao、Weiqing Xie

  DOI：10.1002/anie.201609975

  日期：2017.1.2

  ketones was facilitated by the action of H2O2 under operationally simple and environmentally benign reaction conditions. The process was highly regioselective and enables stereospecific construction of contiguous quaternary all‐carbon centers from stereodefined all‐substituted all‐cyclic ketones. The asymmetric syntheses of (+)‐cuparene and (+)‐tochuinyl acetate were also successively achieved by taking advantage

  在操作简单和环境友好的反应条件下，H 2 O 2的作用促进了环状α-甲酰基酮的氧化环收缩。该过程具有高度的区域选择性，并能够从立体定义的全取代的全环酮立体构筑连续的季碳全碳中心。利用该新方案还成功实现了（+）-cuparene和（+）-tochuinyl乙酸酯的不对称合成。
• Rhodium(II)-carbenoid C–H insertion reactions in the synthesis of β-oxospirane systems
  作者：Pompiliu S. Aburel、Kjell Undheim

  DOI：10.1039/b001988g

  日期：——

  A simple one-pot procedure is described for the preparation of spiro[4.4]nonane-2,7-dione derivatives from open chain bis(α-diazoketones) by two consecutive intramolecular Rh(II)-catalyzed carbenoid insertion reactions. With 1-diazo-4-(3-oxocycloalkyl)butan-2-ones as substrates, the methodology provides 2,7-dioxospiranes with a cyclopentane ring spiroannulated onto a five-, six- or seven-membered cycloalkane.

  描述了一种简单的一锅法，通过两次连续的分子内Rh(II)催化的羧基插入反应，从开放链的双(α-叠氮酮)中合成spiro[4.4]非烯-2,7-二酮衍生物。以1-叠氮-4-(3-氧代环烷基)丁-2-酮为底物，该方法提供了具有环戊烷环的2,7-二氧杂螺烷，环戊烷环与五、六或七元环烷烃螺接。
• METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE BY MEANS OF COUPLING METHOD USING PALLADIUM COMPOUND
  申请人：Komiyama Masato

  公开号：US20130158272A1

  公开（公告）日：2013-06-20

  The present invention provides a method for producing a xanthine oxidase inhibitor, which is a therapeutic agent for hyperuricemia, or intermediates of the same, said method being efficient and using a short process. The present invention is a novel coupling method for obtaining a compound represented by formula (3) by bringing about a coupling reaction between a compound represented by formula (1) and a compound represented by formula (2), in the presence of a palladium compound, a ligand capable of coordinating to the palladium compound, a base, a C 1 -C 40 carboxylic acid, and at least one kind of additive.

  本发明提供了一种生产黄嘌呤氧化酶抑制剂的方法，该抑制剂是治疗高尿酸血症的药物，或者其中间体，该方法高效且使用流程简短。本发明是一种新型耦合方法，通过在钯化合物、能够配位到钯化合物的配体、碱、C1-C40羧酸和至少一种添加剂的存在下，在式（1）所代表的化合物和式（2）所代表的化合物之间引发耦合反应，从而获得式（3）所代表的化合物。
• Fused cyclic modulators of nuclear hormone receptor function
  申请人：Salvati E. Mark

  公开号：US20050282813A1

  公开（公告）日：2005-12-22

  The invention pertains to fused cyclic compounds having the formula, wherein G is an optionally substituted aryl or heterocyclo, L is an optional linker, M is a bond, O, CR 7 R 7′ or NR 10 , and M′ is a bond or NR 10 , with the proviso that at least one of M or M′ must be a bond; E is C=Z 2 , CR 7 CR 7′ , SO 2 , P═OR 2 , or P═OOR 2 ; Z 1 is O, S, NH, or NR 6 ; Z 2 is O, S, NH, or NR 6 ; A 1 is CR 7 or N; A 2 is CR 7 or N; Y is J-J′-J″ where J is (CR 7 R 7′ )n and n=0-3, J′ is a bond or O, S, S═O, SO 2 , NH, NR 6 , C═O, OC═O, NR 1 C═O, CR 7 R 7′ , C═CR 8 R 8′ , R 2 P═O, OPOOR 2 , OPO 2 , OSO 2 , C═N, NHNH, NHNR 6 , NR 6 NH, N=N, cycloalkyl or substituted cycloalkyl, cycloalkenyl or substituted cycloalkenyl, heterocyclo or substituted heterocyclo or aryl or substituted aryl, and J″ is (CR 7 R 7′ ) n and n=0-3; and W, Q, R 2 , R 6 , R 7 , R 7′ , R 8 , R 8′ , R 9 , R 9′ , and R 10 are as defined in the specification and/or claims herein, to methods of using such compounds in the treatment of nuclear hormone receptor-associated conditions such as cancer and immune disorders, and to pharmaceutical compositions containing such compounds.

  本发明涉及具有下式的融合环化合物，其中G为可选取代的芳基或杂环基，L为可选取的连接基，M为键合，O、CR7R7′或NR10，M′为键合或NR10，但至少M或M′必须为键合；E为C=Z2、CR7CR7′、SO2、P═OR2或P═OOR2；Z1为O、S、NH或NR6；Z2为O、S、NH或NR6；A1为CR7或N；A2为CR7或N；Y为J-J′-J″，其中J为(CR7R7′)n且n=0-3，J′为键合或O、S、S═O、SO2、NH、NR6、C═O、OC═O、NR1C═O、CR7R7′、C═CR8R8′、R2P═O、OPOOR2、OPO2、OSO2、C═N、NHNH、NHNR6、NR6NH、N=N、环烷基或取代环烷基、环烯基或取代环烯基、杂环基或取代杂环基或芳基或取代芳基，J″为(CR7R7′)n且n=0-3；W、Q、R2、R6、R7、R7′、R8、R8′、R9、R9′和R10如本说明书和/或权利要求中所定义的，以及使用这些化合物治疗核激素受体相关疾病，如癌症和免疫疾病的方法，以及包含这些化合物的制药组合物。