2-乙酰氧基丁酰溴 | 1028316-22-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 2-乙酰氧基丁酰溴
• 英文名称: 2-acetoxybutyryl bromide
• 英文别名: (1-Bromo-1-oxobutan-2-yl) acetate
• CAS: 1028316-22-4
• 化学式: C₆H₉BrO₃
• 分子量: 209.04
• InChiKey: YWEDYVODDFSMKY-UHFFFAOYSA-N

物化性质

• 沸点：
  202.8±23.0 °C(Predicted)
• 密度：
  1.474±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-乙酰氧基丁酰溴 、 5-fluorocytidine 在 potassium hydrogencarbonate 、 sodium sulfide 、 sodium methylate 、 tributylammonium bromide 、 锌 作用下， 以 乙酸乙酯 、 乙腈 、 水 为溶剂， 反应 0.5h， 以41%的产率得到5-fluoro-2',3'-dideoxy-2',3-didehydro-β-D-cytidine
  参考文献：
  名称：

  [EN] PROCESS FOR PREPARING 2',3'-DIDEHYDRO-2',3'-DIDEOXYNUCLEOSIDES AND 2',3'-DIDEOXYNUCLEOSIDES
  [FR] PROCEDE DE PREPARATION DE 2',3'-DIDEHYDRO-2',3'-DIDEOXYNUCLEOSIDES ET DE 2',3'-DIDEOXYNUCLEOSIDES

  摘要：

  描述了一种制备2',3'-二脱氢-2',3'-二脱氧核苷和2',3'-二脱氧核苷的方法，包括化合物(I)的还原消除反应，其中X、Y、P'和B具有描述中给出的含义，通过与锌金属和适当的活化剂反应，其特征在于通过向所述有机相添加矿物硫化物溶液，通过沉淀去除二价锌，形成相应的锌硫化物。

  公开号：

  WO2005012325A1

文献信息

• Process for preparing 2',3'-didehydro-2'3'-dideoxynucleosides and 2',3'-dideoxynucleosides
  申请人：Bertolini Giorgio

  公开号：US20060199959A1

  公开（公告）日：2006-09-07

  A process for preparing 2′,3′-didehydro-2′,3′-dideoxynucleosides and 2′,3′-dideoxynucleosides is described, which comprises the reductive elimination reaction of a compound of formula in which X, Y, P′ is H or a protecting group and B is a natural or modified, optionally substituted purine or pyrimidine base or a five- or six-membered monocyclic or eleven- or twelve-membered bicyclic, optionally substituted heterocyclic system containing at least one nitrogen atom, by reaction with zinc metal and a suitable activating agent, characterized in that the divalent zinc is removed by precipitation, from an organic phase, of the corresponding zinc sulfide, by adding a solution of a mineral sulfide to the organic phase.

  本发明描述了一种制备 2′，3′-二脱氢-2′，3′-二脱氧核苷和 2′，3′-二脱氧核苷的工艺，该工艺包括式化合物的还原消除反应 其中 X、Y、P′为 H 或保护基团，B 为天然或修饰的、任选取代的嘌呤或嘧啶碱基或含有至少一个氮原子的五元或六元单环或十一元或十二元双环、任选取代的杂环系统、与金属锌和适当的活化剂反应，其特征在于，通过向有机相中加入硫化矿溶液，从有机相中沉淀相应的硫化锌，从而除去二价锌。
• CONTRAST MEDIA
  申请人：NYCOMED IMAGING AS

  公开号：EP1175392A1

  公开（公告）日：2002-01-30
• PROCESS FOR PREPARING 2',3'-DIDEHYDRO-2',3'-DIDEOXYNUCLEOSIDES AND 2',3'-DIDEOXYNUCLEOSIDES
  申请人：Archimica S.r.l.

  公开号：EP1654270B1

  公开（公告）日：2007-12-26
• [EN] SYNTHESIS OF COMBINATORIAL LIBRARIES OF COMPOUNDS REMINISCENT OF NATURAL PRODUCTS<br/>[FR] SYNTHESE COMBINATOIRE D'ECHANTILLOTHEQUES DE COMPOSES REMINISCENTS DE PRODUITS NATURELS
  申请人：HARVARD COLLEGE

  公开号：WO2000006525A2

  公开（公告）日：2000-02-10

  The present invention provides complex compounds reminiscent of natural products and libraries thereof, as well as methods for their production. The inventive compounds and libraries of compounds are reminiscent of natural products in that they contain one or more stereocenters, and a high density and diversity of functionality. In general, the inventive libraries are synthesized from diversifiable scaffold structures, which are synthesized from readily available or easily synthesizable template structures. In certain embodiments, the inventive compounds and libraries are generated from diversifiable scaffolds synthesized from a shikimic acid based epoxyol template. In other embodiments, the inventive compounds and libraries are generated from diversifiable scaffolds synthesized from the pyridine-based template isonicotinamide. The present invention also provides a novel ortho-nitrobenzyl photolinker and a method for its synthesis. Furthermore, the present invention provides methods and kits for determining one or more biological activities of members of the inventive libraries. Additionally, the present invention provides pharmaceutical compositions containing one or more library members.
• [EN] CONTRAST MEDIA<br/>[FR] AGENTS DE CONTRASTE
  申请人：NYCOMED IMAGING AS

  公开号：WO2000066544A1

  公开（公告）日：2000-11-09

  The invention provides low viscosity iodinated aryl compounds, useful as X-ray contrast agents of formula (I) wherein n is 0 or 1, and where n is 1 each C6R5 moiety may be the same or different; X denotes a bond or a group providing a 1 to 7 atom chain linking two C6R5 moieties or, where n is 0, X denotes a group R; each group R is a hydrogen atom, an iodine atom or a hydrophilic moiety M or M1, two or three non-adjacent R groups in each C6R5 moiety being iodine and at least one R group in each C6R5 moiety being an M or M1 moiety; each M which may be the same or different, is a non-ionic hydrophilic moiety; and each M1 independently represents a -CHOHCON (R1)2 group wherein each R1, which may be the same or different, is a hydrogen atom, an OH group or a C1-6 alkoxy or optionally hydroxylated C1-5 alkyl group; at least one R group in the molecule being an M1 moiety; and isomers thereof.