Triethyl-2-methyl-2-phosphonpropionat | 40226-07-1

• 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: Triethyl-2-methyl-2-phosphonpropionat
• 英文别名: triethyl phosphonodimethylacetate；2-diethoxyphosphoryl-2-methyl-propionic acid ethyl ester；α-diethoxyphosphoryl-isobutyric acid ethyl ester；α-Diaethoxyphosphoryl-isobuttersaeure-aethylester；Ethyl 2-diethoxyphosphoryl-2-methylpropanoate
• CAS: 40226-07-1
• 化学式: C₁₀H₂₁O₅P
• 分子量: 252.247
• InChiKey: RBXYFFQRXPBIBJ-UHFFFAOYSA-N

物化性质

• 沸点：
  128-128.5 °C(Press: 8 Torr)
• 密度：
  1.0774 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  16
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  61.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Triethyl-2-methyl-2-phosphonpropionat 在 盐酸 作用下， 生成 α-phosphono-isobutyric acid
  参考文献：
  名称：

  Alkylation of Triethyl Phosphonoacetate and Related Esters

  摘要：

  DOI：

  10.1021/ja01165a104
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 氢化钾 、 xylene 作用下， 生成 Triethyl-2-methyl-2-phosphonpropionat
  参考文献：
  名称：

  Alkylation of Triethyl Phosphonoacetate and Related Esters

  摘要：

  DOI：

  10.1021/ja01165a104

文献信息

• NOVEL QUINUCLIDINE DERIVATIVES HAVING TRICYCLIC FUSED HETERO RING
  申请人：YAMANOUCHI PHARMACEUTICAL CO. LTD.

  公开号：EP0812840A1

  公开（公告）日：1997-12-17

  A quinuclidine derivative represented by the following general formula (I), a pharmaceutically acceptable salt thereof, a hydrate thereof or a solvate thereof, which has strong squalene synthase inhibiting activity and is useful as a cholesterol lowering agent without causing side effects. (Symbols in the formula represent the following meanings; R1: a hydrogen atom, a halogen atom or a lower alkyl group, R2: a hydrogen atom, a hydroxyl group or a lower alkoxy group, : a single bond or a double bond, with the proviso that R2 does not exist when is a double bond, X and Y: the same or different from each other and each represents a bond, an oxygen atom (-O-), a carbonyl group (-CO-), a group represented by the formula -S(O)p- or a group represented by the formula -NR3-, p: 0, 1 or 2, R3: a hydrogen atom or a lower alkyl group which may have a substituent, A: a saturated or unsaturated lower alkylene group, a group of the formula -(CH2)mZ(CH2)n- or a group of the formula -(CH2)mZ(CH2)nCR4=, Z: an oxygen atom (-O-), a group of the formula -S(O)q-, a carbonyl group (-CO-) or a group of the formula -NR5-, R4: a hydrogen atom, a halogen atom or a lower alkyl group, R5: a hydrogen atom or a lower alkyl group, m and n: the same or different from each other and each is 0 or an integer of 1 to 5, m + n: an integer of 1 to 5 q: 0, 1 or 2, with the proviso that, when either one of X and Y is a bond, A is a group represented by the formula -(CH2)mZ(CH2)nCR4=.)

  一种由以下通式（I）代表的喹烯酮衍生物、其药学上可接受的盐、其水合物或其溶液，该衍生物具有很强的角鲨烯合成酶抑制活性，可用作降低胆固醇的药物，且不会产生副作用。 (式中符号代表以下含义； R1：氢原子、卤素原子或低级烷基、 R2：氢原子、羟基或低级烷氧基、 R2：单键或双键，但 R2 为双键时不存在、 X和Y：彼此相同或不同，各自代表一个键、一个氧原子（-O-）、一个羰基（-CO-）、一个由式-S(O)p-代表的基团或一个由式-NR3-代表的基团、 p:0、1 或 2、 R3：氢原子或可带有取代基的低级烷基、 A：饱和或不饱和低级亚烷基、式-(CH2)mZ(CH2)n-或式-(CH2)mZ(CH2)nCR4=的基团、 Z：氧原子（-O-）、式-S(O)q-的基团、羰基（-CO-）或式-NR5-的基团、 R4：氢原子、卤素原子或低级烷基、 R5：氢原子或低级烷基、 m 和 n：相同或互不相同，各自为 0 或 1 至 5 的整数、 m+n：1 至 5 的整数 q：0、1 或 2、 但条件是，当 X 和 Y 中任何一个是键时，A 是由式-(CH2)mZ(CH2)nCR4=代表的基团。）
• Amino Phosphonic Acids. II. Aminoalkylphosphonic Acids
  作者：James P. Berry、A.F. Isbell、Glenn E. Hunt

  DOI：10.1021/jo00799a607

  日期：1972.7.29
• Ester enolates. New preparation of malonates, phosphonoacetates, and .alpha.-selenyl and sulfinyl esters
  作者：Timothy J. Brocksom、N. Petragnani、Rui Rodrigues

  DOI：10.1021/jo00928a032

  日期：1974.7
• Inhibition of Staphyloxanthin Virulence Factor Biosynthesis in <i>Staphylococcus aureus</i>: In Vitro, in Vivo, and Crystallographic Results
  作者：Yongcheng Song、Chia-I Liu、Fu-Yang Lin、Joo Hwan No、Mary Hensler、Yi-Liang Liu、Wen-Yih Jeng、Jennifer Low、George Y. Liu、Victor Nizet、Andrew H.-J. Wang、Eric Oldfield

  DOI：10.1021/jm9001764

  日期：2009.7.9

  The gold color of Staphylococcus aureus is derived from the carotenoid staphyloxanthin, a virulence factor for the organism. Here, we report the synthesis and activity of a broad variety of staphyloxanthin biosynthesis inhibitors that inhibit the first committed step in its biosynthesis, condensation of two farnesyl diphosphate (FPP) molecules to dehydrosqualene, catalyzed by the enzyme dehydrosqualene synthase (CrtM). The most active compounds are phosphonoacetamides that have low nanomolar K-i values for CrtM inhibition and are active in whole bacterial cells and in mice, where they inhibit S. aureus disease progression. We also report the X-ray crystallographic structure of the most active compound, N-3-(3-phenoxyphenyl)propylphosphonoacetamide (IC50 = 8 nM, in cells), bound to CrtM. The structure exhibits a complex network of hydrogen bonds between the polar headgroup and the protein, while the 3-phenoxyphenyl side chain is located in a hydrophobic pocket previously reported to bind farnesyl thiodiphosphate (FsPP), as well as biphenyl phosphonosulfonate inhibitors. Given the good enzymatic, whole cell, and in vivo pharmacologic activities, these results should help guide the further development of novel antivirulence factor-based therapies for S. aureus infections.
• PHOSPHORUS-CONTAINING FLAME RETARDANTS
  申请人：COURTAULDS PLC

  公开号：EP0690890A1

  公开（公告）日：1996-01-10