2-(bis(allyloxy)phosphoryl)acetic acid | 70662-17-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机膦酸及其衍生物
• 英文名称: 2-(bis(allyloxy)phosphoryl)acetic acid
• 英文别名: [bis(2-propenyloxy)phosphinyl]acetic acid；2-bis(prop-2-enoxy)phosphorylacetic acid
• CAS: 70662-17-8
• 化学式: C₈H₁₃O₅P
• 分子量: 220.162
• InChiKey: BOXGOHXIRVVNFS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  14
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  72.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(bis(allyloxy)phosphoryl)acetic acid 在 对甲苯磺酰叠氮 、 TEA 、 sodium hydride 、 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 生成 (Bis-allyloxy-phosphoryl)-diazo-acetic acid (R)-4,4-dimethyl-2-oxo-tetrahydro-furan-3-yl ester
  参考文献：
  名称：

  Double Diastereoselective Intramolecular Cyclopropanation to P-Chiral [3.1.0]-Bicyclic Phosphonates

  摘要：

  [GRAPHICS]A double diastereotopic differentiation strategy on a phosphonoacetate template is described. The approach utilizes Rh-2(OAC)(4)-catalyzed intramolecular cyclopropanation (ICP) employing the (R)-pantolactone auxiliary in the ester functionality of the phosphonoacetate. The olefinic diastereofacial selectivity is governed by inherent electronic and steric interactions in the reacting carbene intermediate, while the group selectivity is dictated by the chiral auxiliary. This approach is being developed as an effective method to access bicyclic P-chiral phosphonates.

  DOI：

  10.1021/ol026080o
• 作为产物：
  描述：

  tert-butyl 2-(bis(allyloxy)phosphoryl)acetate 在 甲酸 作用下， 以95%的产率得到2-(bis(allyloxy)phosphoryl)acetic acid
  参考文献：
  名称：

  Double Diastereoselective Intramolecular Cyclopropanation to P-Chiral [3.1.0]-Bicyclic Phosphonates

  摘要：

  [GRAPHICS]A double diastereotopic differentiation strategy on a phosphonoacetate template is described. The approach utilizes Rh-2(OAC)(4)-catalyzed intramolecular cyclopropanation (ICP) employing the (R)-pantolactone auxiliary in the ester functionality of the phosphonoacetate. The olefinic diastereofacial selectivity is governed by inherent electronic and steric interactions in the reacting carbene intermediate, while the group selectivity is dictated by the chiral auxiliary. This approach is being developed as an effective method to access bicyclic P-chiral phosphonates.

  DOI：

  10.1021/ol026080o

文献信息

• Phosphonoacyl prolines and related compounds
  申请人：E. R. Squibb & Sons, Inc.

  公开号：US04151172A1

  公开（公告）日：1979-04-24

  New phosphonoacyl prolines and related compounds have the general formula ##STR1## wherein R.sub.1 and R.sub.2 each is hydrogen, lower alkyl, lower alkenyl, unsustituted or substituted phenyl-lower alkyl, or a metal ion; R.sub.3 is hydrogen or lower alkyl; R.sub.4 is hydrogen, lower alkyl, phenyl-lower alkyl or a metal ion; and N is 0 or 1. These compounds are useful as hypotensive agents.

  新的磷酸酰脯氨酸和相关化合物具有以下一般式： ##STR1## 其中R.sub.1和R.sub.2分别为氢，低烷基，低烯基，未取代或取代的苯基-低烷基或金属离子；R.sub.3为氢或低烷基；R.sub.4为氢，低烷基，苯基-低烷基或金属离子；N为0或1。这些化合物可用作降压剂。
• Pyrrole and Isoindole Carboxamide Derivatives as P2X7 Modulators
  申请人：Gleave Robert James

  公开号：US20100210705A1

  公开（公告）日：2010-08-19

  The present invention relates to a compound of formula (I) or a pharmaceutically acceptable salt thereof: wherein: R 2 represents hydrogen, halogen, C 1-6 alkyl, C 6-10 arylmethyl-, C 2-6 alkenyl, C 2-6 alkynyl or C 3-6 cycloalkylmethyl-; and any of said C 1-6 alkyl, C 6-10 arylmethyl-, C 2-6 alkenyl, C 2-6 alkynyl or C 3-6 cycloalkylmethyl- is optionally substituted with 1, 2 or 3 halogen atoms; and R 3 represents hydrogen, fluorine or methyl; or R 2 and R 3 together with the carbon atoms to which they are attached form a benzene ring optionally substituted with 1, 2 or 3 substituents, which may be the same or different, selected from the group consisting of C 1-6 alkyl, C 2-6 alkenyl and C 2-6 alkynyl. The compounds or salts modulate P2X7 receptor function and are capable of antagonizing the effects of ATP at the P2X7 receptor. The invention also provides the use of such compounds or salts, or pharmaceutical compositions thereof, in the treatment of disorders mediated by the P2X7 receptor, for example pain, inflammation or neurodegeneration.

  本发明涉及式（I）的化合物或其药学上可接受的盐：其中：R2代表氢、卤素、C1-6烷基、C6-10芳基甲基、C2-6烯基、C2-6炔基或C3-6环烷基甲基；所述的任何C1-6烷基、C6-10芳基甲基、C2-6烯基、C2-6炔基或C3-6环烷基甲基均可选地用1、2或3个卤素原子取代；R3代表氢、氟或甲基；或R2和R3与它们连接的碳原子一起形成一个苯环，该苯环可选地用1、2或3个取代基取代，所述取代基可以是相同的或不同的，选自C1-6烷基、C2-6烯基和C2-6炔基的群。这些化合物或盐调节P2X7受体功能，并能够拮抗ATP在P2X7受体的作用。本发明还提供了这种化合物或盐的用途，或其制成的药物组合物，用于治疗由P2X7受体介导的疾病，例如疼痛、炎症或神经退行性疾病。
• TREHALOSE COMPOUND, METHOD FOR PRODUCING SAME, AND PHARMACEUTICAL PRODUCT CONTAINING THE COMPOUND
  申请人：GLYTECH, INC.

  公开号：US20140248317A1

  公开（公告）日：2014-09-04

  A trehalose compound having high immunopotentiating activity and low toxicity is represented by formula (1). (In the formula, X and X′ each represents a phenyl, a naphthyl, R 1 —CHR 1 — (wherein R 1 and R 2 each represents a C 7 -C 21 alkyl group or the like) or the like; and n and n′ each independently represents an integer of 0-3). The compound exhibits a high activating effect on macrophages and neutrophils.

  具有高免疫增强活性和低毒性的海藻糖类化合物由式（1）表示。（在公式中，X和X'分别表示苯基，萘基，R1-CHR1-（其中R1和R2各表示C7-C21烷基或类似物）或类似物; n和n'各自独立表示0-3的整数）。该化合物表现出对巨噬细胞和中性粒细胞的高活化效应。
• Derivatives of phosphonoacyl prolines and their pharmaceutical use
  申请人：E.R. Squibb & Sons, Inc.

  公开号：EP0000833A1

  公开（公告）日：1979-02-21

  New phosphonoacyl prolines and related compounds have the general formula wherein R1 and R2 each is hydrogen, lower alkyl, lower alkenyl, unsubstituted or substituted phenyl-lower alkyl, or a metal ion; R3 is hydrogen or lower alkyl; R4 is hydrogen, lower alkyl, plenyl-lower alkyl or a metal ion; and n is 0 or 1. I These compounds may be used as hypotensive agents in the treament of mammals.

  新型磷酰基脯氨酸及相关化合物的通式为 其中 R1 和 R2 各为氢、低级烷基、低级烯基、未取代或取代苯基-低级烷基或金属离子；R3 为氢或低级烷基；R4 为氢、低级烷基、烯基-低级烷基或金属离子；n 为 0 或 1。 I 这些化合物可用作治疗哺乳动物的降压药。
• Trehalose compound, method for producing same, and pharmaceutical product containing the compound
  申请人：Otsuka Chemical Co., Ltd.

  公开号：EP2567963A1

  公开（公告）日：2013-03-13

  It is an object of the present invention to provide a trehalose compound having high immunopotentiating activity and low toxicity. The compound exhibits a high activating effect on macrophages and neutrophils. The trehalose compound is represented by formula (1), wherein X represents R1-CHR2-, and X' represents R1'-CHR2'-, wherein R1, R1', R2 and R2' independently represent a C1-C21 alkyl group or a hydrogen atom, and wherein n and n' independently represent an integer of 0 to 3.

  本发明的目的是提供一种具有高免疫增强活性和低毒性的三卤糖化合物。该化合物对巨噬细胞和中性粒细胞具有很高的激活作用。 该曲卤糖化合物由式（1）表示，其中 X 代表 R1-CHR2-，X'代表 R1'-CHR2'-，其中 R1、R1'、R2 和 R2'独立地代表 C1-C21 烷基或氢原子，n 和 n'独立地代表 0 至 3 的整数。