erythro-2,2-Dimethyl-5-phenyl-1,3-dioxolan-4-carbonsaeure-ethylester | 133421-02-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: erythro-2,2-Dimethyl-5-phenyl-1,3-dioxolan-4-carbonsaeure-ethylester
• 英文别名: ethyl (2R,3R)-2,3-isopropylidenyloxy-3-phenylpropanoate；(4R,5R)-ethyl 2,2-dimethyl-5-phenyl-1,3-dioxolane-4-carboxylate；ethyl (4R,5R)-2,2-dimethyl-5-phenyl-1,3-dioxolane-4-carboxylate
• CAS: 133421-02-0
• 化学式: C₁₄H₁₈O₄
• 分子量: 250.295
• InChiKey: VQNDEYXLGWXLKF-VXGBXAGGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  erythro-2,2-Dimethyl-5-phenyl-1,3-dioxolan-4-carbonsaeure-ethylester 在 乙醚 、 乙醇 、 水 、 二异丁基氢化铝 作用下， 生成 (4R,5R)-2,2-Dimethyl-5-phenyl-[1,3]dioxolane-4-carbaldehyde
  参考文献：
  名称：

  Effenberger, Franz; Hopf, Martin; Ziegler, Thomas, Chemische Berichte, 1991, vol. 124, p. 1651 - 1659

  摘要：

  DOI：
• 作为产物：
  描述：

  (3R)-2,3-dihydroxy-3-phenylpropanoic acid 在 硫酸 、 原甲酸三乙酯 作用下， 反应 72.0h， 生成 erythro-2,2-Dimethyl-5-phenyl-1,3-dioxolan-4-carbonsaeure-ethylester
  参考文献：
  名称：

  Effenberger, Franz; Hopf, Martin; Ziegler, Thomas, Chemische Berichte, 1991, vol. 124, p. 1651 - 1659

  摘要：

  DOI：

文献信息

• Gold-Catalysed Activation of Epoxides: Application in the Synthesis of Bicyclic Ketals
  作者：Rengarajan Balamurugan、Raveendra Babu Kothapalli、Ganesh Kumar Thota

  DOI：10.1002/ejoc.201001214

  日期：2011.3

  Gold-catalysed generation of diol equivalents from epoxides and their intramolecular reaction with C≡C bonds to generate bicyclic ketals is presented. This reaction essentially involves the formation of an acetonide, which subsequently cyclises on the alkyne intramolecularly under gold catalysis conditions. This method could be extended to make optically pure bicyclic ketals. Deuterium incorporation

  介绍了金催化从环氧化物生成二醇等价物及其与 C≡C 键的分子内反应生成双环缩酮。该反应主要涉及丙酮化物的形成，其随后在金催化条件下分子内在炔烃上环化。这种方法可以扩展到制造光学纯的双环缩酮。进行氘掺入实验以确定反应机理。
• WO2007/5935
  申请人：——

  公开号：——

  公开（公告）日：——
• Biotransformations with baker's yeast: pH effects on diastereoselectivity during α-hydroxy-β-ketoester reductions and carboncarbon bond cleavages
  作者：N.W. Fadnavis、S.Kumara Vadivel、U.T. Bhalerao

  DOI：10.1016/s0957-4166(97)00232-2

  日期：1997.7

  Baker's yeast mediated reduction of alpha-substituted-beta-ketoesters lead to reduction of the carbonyl group with high enantiospecificity and diastereoselectivity at low pH (4.0-5.0, e.e.>99%, d.e.>90%) but cleavage of the C-C bond is observed at higher pH (>8.0%). Similar carbon-carbon bond cleavage are observed in the reactions of alpha-acetamido-beta-ketoesters and acetamidocinnamic acid. (C) 1997 Elsevier Science Ltd.
• EFFENBERGER, FRANZ;HOPF, MARTIN;ZIEGLER, THOMAS;HUDELMAYER, JOCHEN, CHEM. BER., 124,(1991) N, C. 1651-1659
  作者：EFFENBERGER, FRANZ、HOPF, MARTIN、ZIEGLER, THOMAS、HUDELMAYER, JOCHEN

  DOI：——

  日期：——
• [EN] NOREPINEPHRINE TRANSPORTER RADIOTRACERS AND METHODS OF SYNTHESES THEREOF<br/>[FR] RADIOTRACEURS DE TRANSPORTEUR DE NOREPINEPHRINE ET PROCEDES RELATIFS A LEURS SYNTHESES
  申请人：MOLECULAR NEUROIMAGING LLC

  公开号：WO2007005935A2

  公开（公告）日：2007-01-11

  [EN] The present invention provides compounds and radiotracers thereof for locating, diagnosing, identifying, evaluating, detecting or quantitating NET by in vivo imaging. The invention also provides methods for locating, diagnosing, identifying, evaluating, detecting or quantitating NET, using radiotracers of high-affinity or labeled compounds of the invention, which exhibit low toxicity, can cross the blood-brain barrier and, preferably, distinguish among normal and abnormal brains. For example, a radiotracer of the invention can be administered to a patient in an amount suitable for in vivo imaging thereof. Preferably, radiotracers of the invention can also be used to locate, diagnosis, identify, evaluate, detect and quantitate NET in such diseases, disorders, conditions or maladies as, without limitation, depression, anxiety, ADHD and drug dependency.
  [FR] Composés et radiotraceurs correspondants permettant de localiser, de diagnostiquer, d'identifier, d'évaluer, de détecter ou de quantifier les transporteurs de norépinéphrine (NET) par imagerie in vivo. Egalement, procédés permettant de localiser, de diagnostiquer, d'identifier, d'évaluer, de détecter ou de quantifier les NET, par le biais de radiotraceurs à haute affinité ou de composés marqués décrits, qui présentent une faible toxicité, capables de traverser la barrière hémato-encéphalique, et de préférence de faire la distinction entre cerveaux normaux et anormaux. Par exemple, un radiotraceur de ce type peut être administré en quantité appropriée à l'imagerie in vivo correspondante. De préférence, de tels radiotraceurs peuvent aussi être utilisés pour localiser, diagnostiquer, identifier, évaluer, détecter ou quantifier les NET en liaison avec des maladies du type, entre autres, dépression, anxiété, THADA et pharmacodépendance.