methyl (S)-3-methyl-2-phenylbutanoate | 127641-47-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: methyl (S)-3-methyl-2-phenylbutanoate
• 英文别名: methyl (2S)-3-methyl-2-phenylbutanoate
• CAS: 127641-47-8
• 化学式: C₁₂H₁₆O₂
• 分子量: 192.258
• InChiKey: RHOGKBHFZYAOSG-NSHDSACASA-N

物化性质

• 沸点：
  245.7±9.0 °C(Predicted)
• 密度：
  0.996±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  甲基3-甲基-2-苯基丁酸酯 以33%的产率得到
  参考文献：
  名称：

  AHMAR, M.;GIRARD, C.;BLOCH, R., TETRAHEDRON LETT., 30,(1989) N0, C. 7053-7056

  摘要：

  DOI：

文献信息

• Stereoselective Ketone Rearrangements with Hypervalent Iodine Reagents
  作者：Florence Malmedy、Thomas Wirth

  DOI：10.1002/chem.201603022

  日期：2016.11.2

  The first stereoselective version of an iodine(III)‐mediated rearrangement of arylketones in the presence of orthoesters is described. The reaction products, α‐arylated esters, are very useful intermediates in the synthesis of bioactive compounds such as ibuprofen. With chiral lactic acid‐based iodine(III) reagents product selectivities of up to 73 % ee have been achieved.

  描述了在原酸酯存在下碘（III）介导的芳基酮重排的第一个立体选择性形式。反应产物α-芳基化酯是生物活性化合物（如布洛芬）合成中非常有用的中间体。使用基于手性乳酸的碘（III）试剂，产品选择性高达73％  ee。
• Novel Cannabinoid Receptor Ligands, Pharmaceutical Compositions Containing Them, and Process For Their Preparation
  申请人：Muthuppalaniappan Meyyappan

  公开号：US20080234259A1

  公开（公告）日：2008-09-25

  The present invention relates to novel cannabinoid receptor modulators, in particular cannabinoid 1 (CB1) or cannabinoid 2 (CB2) receptor modulators, and uses thereof for treating diseases, conditions and/or disorders modulated by a cannabinoid receptor (such as pain, neurodegenative disorders, eating disorders, weight loss or control, and obesity).

  本发明涉及新型大麻素受体调节剂，特别是大麻素1（CB1）或大麻素2（CB2）受体调节剂，以及它们在治疗由大麻素受体调节的疾病、状况和/或障碍方面的用途（例如疼痛、神经退行性疾病、进食障碍、体重减轻或控制和肥胖症）。
• NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION
  申请人：MUTHUPPALANIAPPAN Meyyappan

  公开号：US20120142748A1

  公开（公告）日：2012-06-07

  The present invention relates to novel cannabinoid receptor modulators, in particular cannabinoid 1 (CB1) or cannabinoid 2 (CB2) receptor modulators, and uses thereof for treating diseases, conditions and/or disorders modulated by a cannabinoid receptor.

  本发明涉及新型大麻素受体调节剂，特别是大麻素1（CB1）或大麻素2（CB2）受体调节剂，以及它们用于治疗由大麻素受体调节的疾病、状况和/或障碍的用途。
• Rational Design of CH/π Interaction Sites in a Basic Resolving Agent
  作者：Yuka Kobayashi、Toshie Kurasawa、Kazushi Kinbara、Kazuhiko Saigo

  DOI：10.1021/jo049154d

  日期：2004.10.1

  A novel synthetic basic resolving agent, cis-1-aminobenz[f]indan-2-ol (ABI), was rationally designed by introducing effective CH/pi interaction sites to cis-1-aminoindan-2-ol (AI), whose chiral recognition ability has been reported from our laboratory. ABI was applicable to a wide variety of racemic arylalkanoic acids and showed moderate to excellent chiral recognition ability, which was obviously higher than that of AI. The fundamental and important role of CH/pi interactions, such as tunable CH(sp(2))/pi and CH(sp(3))/pi interactions, in the chiral recognition by ABI was revealed by X-ray crystallographic study.
• Enzymatic resolution of methyl 2-alkyl-2-arylacetates
  作者：M. Ahmar、C. Girard、R. Bloch

  DOI：10.1016/s0040-4039(01)93421-5

  日期：——