sodium dibenzyl phosphite | 125028-87-7

• 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: sodium dibenzyl phosphite
• 英文别名: dibenzylphosphite sodium salt；sodium dibenzylphosphite；sodium;dibenzyl phosphite
• CAS: 125028-87-7
• 化学式: C₁₄H₁₄O₃P*Na
• 分子量: 284.227
• InChiKey: HXEIHZUIHQVYMN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.01
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  41.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  sodium dibenzyl phosphite 在 六甲基磷酰三胺 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 为溶剂， 生成 (2R,3R,4S,5R,6R)-2-[2-bis(phenylmethoxy)phosphoryl-2,2-difluoroethyl]-6-phenylmethoxy-3,4,5-tris(prop-2-enoxy)oxane
  参考文献：
  名称：

  Facile installation of the phosphonate and (α,α-difluoromethyl)phosphonate functionalities equipped with benzyl protection

  摘要：

  Under appropriate conditions, dibenzyl (lithiomethyl)phosphonate and dibenzyl (lithiodifluoromethyl)phosphonate displace primary triflates to provide convenient access to the corresponding phosphonates, carrying benzyl ester protecting groups. This approach is of particular advantage for phosphonate ester deprotection, which may be achieved by simple hydrogenolysis. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)00077-5
• 作为产物：
  描述：

  亚磷酸二苄酯 、 2-bromo-N-(2,6-diisopropylphenyl)acetamide 以 四氢呋喃 、 mineral oil 为溶剂， 生成 sodium dibenzyl phosphite
  参考文献：
  名称：

  Phosphorus containing compounds as antihypercholesterolemic and

  摘要：

  描述了新型含磷化合物，以及其制备方法和药物组合物，这些化合物对预防胆固醇的肠道吸收具有作用，因此对治疗高胆固醇血症和动脉粥样硬化有用。

  公开号：

  US05208224A1

文献信息

• Phosphonoformic acid esters and pharmaceutical compositions containing
  申请人：Astra Lakemedel Aktiebolag

  公开号：US04386081A1

  公开（公告）日：1983-05-31

  A pharmaceutical preparation containing as active ingredient a compound of the formula ##STR1## wherein R.sub.1 and R.sub.2 are the same or different, and each is selected from the group consisting of hydrogen, alkyl groups containing 1-6 carbon atoms; cycloalkyl groups containing 3-6 carbon atoms; cycloalkyl-alkyl groups containing 4-6 carbon atoms; 1-adamantyl; 2-adamantyl, benzyl; and phenyl groups of the formula ##STR2## wherein R.sub.4 and R.sub.5 are the same or different and each is selected from the group consisting of hydrogen, halogen, alkyl having 1, 2, or 3 carbon atoms, alkoxy having 1, 2, or 3 carbon atoms, alkoxycarbonyl having 2-7 carbon atoms and alkylcarbonyl groups having 2-7 carbon atoms; or R.sub.4 and R.sub.5 together form a straight saturated alkylene chain having 3 or 4 carbon atoms and being bound to adjacent positions, i.e. 2,3- or 3,4- in the phenyl ring; and R.sub.3 is selected from the group consisting of hydrogen, alkyl groups containing 1-8 carbon atoms; cycloalkyl groups containing 3-8 carbon atoms; cycloalkyl-alkyl groups containing 4-8 carbon atoms; 1-adamantyl; 2-adamantyl; benzyl; and phenyl groups of the formula ##STR3## wherein R.sub.4 and R.sub.5 have the meaning given above; provided that at least one of the groups R.sub.1, R.sub.2 and R.sub.3 is alkyl, cycloalkyl, or cycloalkyl-alkyl as defined above, or 1-adamantyl, 2-adamantyl, or benzyl; and provided that when R.sub.3 is H, then one of R.sub.1 and R.sub.2 is alkyl, cycloalkyl, or cycloalkyl-alkyl as defined above, or 1-adamantyl, 2-adamantyl, or benzyl and the other of R.sub.1 and R.sub.2 is H; or a physiologically acceptable salt or an optical isomer thereof; novel compounds within formula I, methods for their preparation and their medicinal use.

  一种含有如下结构的化合物作为活性成分的制药制剂：其中R.sub.1和R.sub.2相同或不同，且每个都从氢、含有1-6个碳原子的烷基基团、含有3-6个碳原子的环烷基基团、含有4-6个碳原子的环烷基-烷基基团、1-金刚烷基、2-金刚烷基、苄基；以及如下结构的苯基团中的苯基团##STR2##其中R.sub.4和R.sub.5相同或不同，每个都从氢、卤素、含有1、2或3个碳原子的烷基、含有1、2或3个碳原子的烷氧基、含有2-7个碳原子的烷氧羰基和含有2-7个碳原子的烷基羰基基团中选取；或者R.sub.4和R.sub.5一起形成直链饱和的含有3或4个碳原子的烷基链，并与相邻位置即苯环中的2,3-或3,4-相连；R.sub.3从氢、含有1-8个碳原子的烷基基团、含有3-8个碳原子的环烷基基团、含有4-8个碳原子的环烷基-烷基基团、1-金刚烷基、2-金刚烷基、苄基；以及如下结构的苯基团中的苯基团##STR3##其中R.sub.4和R.sub.5具有上述给定的含义；前提是R.sub.1、R.sub.2和R.sub.3中至少有一个是如上所定义的烷基、环烷基或环烷基-烷基，或者1-金刚烷基、2-金刚烷基或苄基；并且当R.sub.3为H时，那么R.sub.1和R.sub.2中的一个是如上所定义的烷基、环烷基或环烷基-烷基，或者1-金刚烷基、2-金刚烷基或苄基，另一个是H；或其生理上可接受的盐或其光学异构体；公式I内的新化合物，其制备方法及其药用。
• Mechanistic Studies of IspH in the Deoxyxylulose Phosphate Pathway:  Heterolytic C−O Bond Cleavage at C₄ Position
  作者：Youli Xiao、Zongbao K. Zhao、Pinghua Liu

  DOI：10.1021/ja710245d

  日期：2008.2.1

  c-o bond cleavage at the c4 position for isph-catatyzed reductive dehydration reaction. our kinetic studies also suggest that the c4 hydroxyl group is involved in substrate binding. because the isph-catalyzed reductive dehydration reaction does not fall into the two known classes of unique iron-site-containing [4fe-4s] proteins, aconitase-type and radical sam-type enzymes, isph may represent a new class

  类异戊二烯是自然界中最大和结构最多样化的代谢物组之一。它们的生物合成需要两种前体，异戊烯二磷酸酯 (ipp) 及其异构体二甲基烯丙基二磷酸酯 (dmapp)。ipp 和 dmapp 的合成有两种不同的途径：磷酸脱氧木酮糖 (dxp) 途径和甲羟戊酸 (mva) 途径。更重要的是，这两种途径在不同的王国之间有着明确的分布。大多数致病细菌和原生动物寄生虫利用 dxp 途径，而动物则通过 mva 途径从乙酰可可合成它们的类异戊二烯前体。植物具有 dxp 和 mva 途径。因此，对 dxp 途径酶的机制研究可能会导致开发基于机制的抑制剂，如除草剂、广谱抗生素和抗疟疾药物。dxp 途径中的 isph 催化 (e)-4-羟基-3-甲基-2-丁烯基二磷酸 (hmbpp) 的还原脱水形成 ipp 和 dmapp，这是 dxp 途径的最后一步。最近文献报道的 epr 研究表明 isph 是一种独特的含铁位点
• Bisphosphonic acid derivatives, their production and use
  申请人：Leo Pharmaceutical Products Ltd. A/S

  公开号：US04870063A1

  公开（公告）日：1989-09-26

  Novel compounds of the formula I ##STR1## in which R.sub.1 -R.sub.11 can be the same or different and stand for hydrogen, a straight or branced aliphatic or alicyclic C.sub.1 -C.sub.10 hydrocarbon radical, an aryl or an aryl-C.sub.1 -C.sub.4 -alkyl radical; n is zero or one, and m is zero, one or two; or R.sub.2 and R.sub.4 when taken together form a saturated aliphatic 5-, 6- or 7-membered ring which may be substituted with one or more C.sub.1 -C.sub.4 alkyl radicals; and pharmaceutically acceptable salts and easily hydroyzable esters thereof, methods for producing said new compounds, pharmaceutical compositions containing the new compounds, dosage units of the compositions, and methods of treating patients using said compositions and dosage units. The present compounds are valuable in the human and veterinary practice by reducing bone resorption and surprisingly also stimulating bone alkaline phosphatase. A substantial increase in bone mass is actually observed during treatment with the present compounds.

  化合物的新结构为I ##STR1## 其中R.sub.1 -R.sub.11 可以相同也可以不同，代表氢、直链或支链脂肪或脂环烃基C.sub.1 -C.sub.10，芳基或芳基-C.sub.1 -C.sub.4 -烷基基团；n 为零或一，m 为零、一或二；或者当R.sub.2 和R.sub.4 联合形成饱和脂肪5、6或7-成员环时，该环可能被一个或多个C.sub.1 -C.sub.4 烷基基团取代；以及其药学上可接受的盐和易水解酯，制备上述新化合物的方法，含有新化合物的药物组合物，组合物的剂量单位，以及使用这些组合物和剂量单位治疗患者的方法。这些化合物在人类和兽医实践中非常有价值，可以通过减少骨吸收并出人意料地刺激骨碱性磷酸酶来实现。实际上，在使用这些化合物进行治疗时观察到骨量显著增加。
• Total synthesis of the 5-methylenephosphonate analogue of D-myo-inositol 1,4,5-trisphosphate
  作者：J. R. Falck、Abdelkrim Abdali、Steven J. Wittenberger

  DOI：10.1039/c39900000953

  日期：——

  The 5-methylenephosphonate analogue of D-myo-Inositol 1,4,5-trisphosphate has been prepared from (–)-quinic acid and shown to be a long-lived agonist of calcium mobilization.

  的5-亚甲基类似物d -肌醇（ - ） -肌醇1,4,5-三磷酸已从制备奎尼酸和示出为钙动员的长寿命激动剂。
• Aliphatic derivatives of phosphonoformic acid, pharmaceutical compositions and methods for combating virus infections
  申请人：Astra Läkemedel Aktiebolag

  公开号：EP0003007A2

  公开（公告）日：1979-07-11

  1. A pharmaceutical preparation containing as active ingredient a compound of the formula wherein R, and R2 are the same or different, and each is selected from the group consisting of hydrogen, alkyl groups containing 1-6 carbon atoms; cycloalkyl groups containing 3-6 carbon atoms; cycloalkyl-alkyl groups containing 4-6 carbon atoms: 1-adamantyl; 2-adamantyl, benzyl; and phenyl groups of the formula wherein R. and R5 are the same or different, and each is selected from the group consisting of hydrogen, halogen, alkyl having 1, 2, or 3 carbon atoms, alkoxy having 1, 2, or 3 carbon atoms, alkoxycarbonyl having 2-7 carbon atoms and alkylcarbonyl groups having 2-7 carbon atoms; or R. and R5 together form a straight saturated alkylene chain having 3 or 4 carbon atoms and being bound to adjacent positions, i.e. 2,3- or 3,4- in the phenyl ring; and R3 is selected from the group consisting of hydrogen, alkyl groups containing 1-8 carbon atoms; cycloalkyl groups containing 3-8 carbon atoms; cycloalkyl-alkyl groups containing 4-8 carbon atoms; 1-adamantyl; 2- adamantyl; benzyl; and phenyl groups of the formula wherein R4 and Rs have the meaning given above; provided that at least one of the groups R,, R2 and R3 is alkyl, cycloalkyl, or cycloalkyl-alkyl as defined above, or 1-adamantyl, 2-adamantyl, or benzyl; and provided that when R3 is H, then one of R, and R2 is alkyl, cycloalkyl, or cycloalkyl-alkyl as defined above, or 1-adamantyl, 2-adamantyl, or benzyl and the other of R, and R2 is H; or a physiologically acceptable salt or an optical isomer thereof; novel compounds within formula I, methods for their preparation and their medicinal use.

  1.一种药物制剂，其活性成分为如下式中的化合物 其中 R 和 R2 相同或不同，且各自选自由下列组成的组氢、含 1-6 个碳原子的烷基、含 3-6 个碳原子的环烷基、含 4-6 个碳原子的环烷基-烷基：1-金刚烷基；2-金刚烷基；苄基；以及式中的苯基。 其中 R.和 R5 相同或不同，且各自选自由氢、卤素、具有 1、2 或 3 个碳原子的烷基、具有 1、2 或 3 个碳原子的烷氧基、具有 2-7 个碳原子的烷氧羰基和具有 2-7 个碳原子的烷基羰基组成的组；或 R.和 R5 共同形成具有 3 或 4 个碳原子的直链饱和亚烷基，并结合到苯基环的相邻位置，即 2,3- 或 3,4- 位； R3 选自氢、含 1-8 个碳原子的烷基、含 3-8 个碳原子的环烷基、含 4-8 个碳原子的环烷基-烷基、1-金刚烷基、2-金刚烷基、苄基和式中的苯基所组成的组。 其中 R4 和 Rs 具有上述含义；条件是基团 R、R2 和 R3 中至少有一个是如上定义的烷基、环烷基或环烷基-烷基，或 1-金刚烷基、2-金刚烷基或苄基；且当 R3 为 H 时，则 R 和 R2 中的一个为如上定义的烷基、环烷基或环烷基-烷基，或 1-金刚烷基、2-金刚烷基或苄基，而 R 和 R2 中的另一个为 H；或其生理上可接受的盐或光学异构体；式 I 内的新型化合物、其制备方法及其药用用途。