Dimethyl (3R)-3-methyladipate | 4463-74-5

• 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: Dimethyl (3R)-3-methyladipate
• 英文别名: Dimethyl (R)-3-methyladipate；(+)(R)-3-methyl-adipic acid dimethyl ester；(+)(R)-3-Methyl-adipinsaeure-dimethylester；(R)-3-methyl-hexanedioic acid dimethyl ester；1,6-Dimethyl (3R)-3-methylhexanedioate；dimethyl (3R)-3-methylhexanedioate
• CAS: 4463-74-5
• 化学式: C₉H₁₆O₄
• 分子量: 188.224
• InChiKey: HOUQYONBQJFBPF-SSDOTTSWSA-N

物化性质

• 沸点：
  219.6±8.0 °C(Predicted)
• 密度：
  1.020±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  13
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Dimethyl (3R)-3-methyladipate 在 吡啶 、 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 生成 (R)-3-methyl-1,6-diacetyloxyhexane
  参考文献：
  名称：

  Highly Enantiospecific Oxyfunctionalization of Nonactivated Hydrocarbon Sites by Perfluoro-cis-2-n-butyl-3-n-propyloxaziridine

  摘要：

  [GRAPHICS]Nonactivated hydrocarbon sites of enantiopure compounds are oxyfunctionalized enantiospecifically by perfluoro-cis-2-n-butyl-3-n-propyloxaziridine under remarkably mild reaction conditions. The reaction occurs with retention of configuration at the oxidized stereogenic center, and the enantiospecificity is highly independent from both the carbon framework of the substrate and the presence of functional groups.

  DOI：

  10.1021/ol990594e
• 作为产物：
  描述：

  (R)-胡薄荷酮氧化物 在 lithium perchlorate 作用下， 以 甲醇 、 乙酸乙酯 为溶剂， 以83%的产率得到Dimethyl (3R)-3-methyladipate
  参考文献：
  名称：

  Electrooxidative cleavage of carbon-carbon bonds. 2. Double cleavage of .alpha.,.beta.-epoxy alkanones and enantiospecific syntheses of chiral methyl trans- and cis-chrysanthemates from (+)- and (-)-carvones

  摘要：

  DOI：

  10.1021/jo00160a002

文献信息

• Substituted benzopyrans as selective estrogen receptor-beta agonists
  申请人：Durst Lee Gregory

  公开号：US20070106082A1

  公开（公告）日：2007-05-10

  This invention relates to novel heterocycles which are antagonists at the melanin-concentrating hormone receptor 1 (MCHR1), also referred to as 11CBy, to pharmaceutical compositions containing them, to processes for their preparation, and to their use in medicines. Compounds of the invention have the formula: (I)

  本发明涉及新型杂环化合物，它们是黑色素浓集激素受体1（MCHR1）的拮抗剂，也称为11CBy，以及包含它们的制药组合物，它们的制备过程以及它们在药物中的应用。本发明的化合物具有以下公式：（I）。
• SUBSTITUTED BENZOPYRANS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS
  申请人：Durst Gregory Lee

  公开号：US20090298925A1

  公开（公告）日：2009-12-03

  The present invention relates to substituted benzopyran derivatives, stereoisomers, and pharmaceutical acceptable salts thereof useful as Estrogen Receptor beta agonists for treating Estrogen Receptor beta mediated diseases such as benign prostatic hyperplasia.

  本发明涉及取代苯并吡喃衍生物、立体异构体及其药学上可接受的盐，用于治疗雌激素受体β介导的疾病，如良性前列腺增生，作为雌激素受体β激动剂。
• [EN] SUBSTITUTED BENZOPYRANS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS<br/>[FR] BENZOPYRANES SUBSTITUES EN TANT QU'AGONISTES SELECTIFS DU RECEPTEUR BETA DE L'OESTROGENE
  申请人：LILLY CO ELI

  公开号：WO2004094400A3

  公开（公告）日：2005-02-24
• Synthesis of optically active methylcyclopentanoids: intermediates for the assembly of complex diterpenoids
  作者：Brian T. Becicka、Frederick L. Koerwitz、Gary J. Drtina、Norman C. Baenziger、David F. Wiemer

  DOI：10.1021/jo00308a020

  日期：1990.10
• Benzopyrans as selective estrogen receptor β agonists (SERBAs). Part 3: Synthesis of cyclopentanone and cyclohexanone intermediates for C-ring modification
  作者：Timothy I. Richardson、Jeffrey A. Dodge、Gregory L. Durst、Lance A. Pfeifer、Jikesh Shah、Yong Wang、Jim D. Durbin、Venkatesh Krishnan、Bryan H. Norman

  DOI：10.1016/j.bmcl.2007.06.052

  日期：2007.9

  Benzopyrans are selective estrogen receptor (ER) beta agonists (SERBAs), which bind the ER subtypes alpha and beta in opposite orientations. Here we describe the syntheses of cyclopentanone and cyclohexanone intermediates for SAR studies of the Gring on the benzopyran scaffold. Modification of the C-ring disrupts binding to ER alpha, thus improving ERP selectivity up to 100-fold. X-ray cocrystal structures confirm previously observed binding modes. (c) 2007 Elsevier Ltd. All rights reserved.