heptyl-phosphonic acid diethyl ester | 17195-46-9

• 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: heptyl-phosphonic acid diethyl ester
• 英文别名: Heptyl-phosphonsaeure-diaethylester；Heptan-phosphonsaeure-(1)-diaethylester；1-Diethoxyphosphorylheptane
• CAS: 17195-46-9
• 化学式: C₁₁H₂₅O₃P
• mdl: MFCD00015658
• 分子量: 236.291
• InChiKey: XDIZFGHRZYDXSI-UHFFFAOYSA-N

物化性质

• 沸点：
  113 °C(Press: 1.9 Torr)
• 密度：
  0.956±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  15
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  heptyl-phosphonic acid diethyl ester 在 sodium azide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 生成 Heptyl-phosphonic acid monoethyl ester
  参考文献：
  名称：

  Phosphonate inhibitors of antigen 85C, a crucial enzyme involved in the biosynthesis of the Mycobacterium tuberculosis cell wall

  摘要：

  The first phosphonate inhibitors of antigen 85C-a major protein component of the Mycobacterium tuberculosis cell wall possessing mycolyltransferase activity were prepared using structure-based design. These potential novel antituberculosis agents, consisting of a phosphonate moiety, hydrophobic alkyl chain and a simple trehalose-mimicking aromatic structure, were designed as tetrahedral transition-state analogue inhibitors of antigen 85C, which catalyzes the key mycolyltransferase reaction involved in cell wall biosynthesis. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.04.052
• 作为产物：
  描述：

  2-溴乙基膦酸二乙酯 在 sodium tetrahydroborate 、 三乙基硼 、 三丁基氯化锡 、 sodium iodide 作用下， 以 正己烷 、 丙酮 、 甲苯 为溶剂， 生成 heptyl-phosphonic acid diethyl ester
  参考文献：
  名称：

  用于利用1-的CC键形成一种新的，有效的方法，2-和3-膦酰基取代从iodoalkylphosphonates衍生的基团和Ñ -Bu 3 SNH / ET 3乙/ O 2系统

  摘要：

  描述了利用衍生自碘代烷基膦酸酯的1-，2-和3-膦酰基取代的基团和催化或化学计量的n- Bu 3 SnH / Et 3 B / O 2试剂体系的新型，实用的高取代膦酸酯的合成方法。

  DOI：

  10.1016/s0040-4020(97)00405-5

文献信息

• A free radical approach to functionalization of phosphonates utilizing novel 2- and 3-phosphonyl radicals
  作者：Piotr Bałczewski、Witold M. Pietrzykowski

  DOI：10.1016/0040-4020(96)00820-4

  日期：1996.10

  method for the phosphonyl C2,C3C bond formation under the free radical, reductive conditions is described. The new approach is based on the synthesis of novel 2- and 3- phosphonyl radicals 6, 9 derived from the corresponding 2- and 3-halo (XCl, Br, I) substituted phosphonates 7, 10 and their reaction with alkenes 4. Functionalized phosphonates 5, 8 possessing the 2+2 and 3+2 elongated carbon chain were

  为膦酰基C A一般方法2，C 3自由基，在还原条件下C键形成进行说明。这种新方法是基于新颖的合成2-和3-膦酰基6,9从相应的2-和3-卤代衍生（XCl，溴，I）取代的膦酸酯7,10和它们与烯烃反应4。官能膦酸酯5,8具有的2 + 2和3 + 2细长的碳链在24÷73％的产率获得。
• Conversion of 1,3- into 1,4-dicarbonyl compounds by means of α-phosphoryl sulphides. Total synthesis of dihydrojasmone and methylenomycin B.
  作者：Marian Mikołajczyk、Sławomir Grzejszczak、Piotr Łyźwa

  DOI：10.1016/s0040-4039(00)87310-4

  日期：1982.1

  An effective synthesis of 1,4-dicarbonyl systems involving the Horner—Wittig reaction of α-phosphoryl sulphides with the half-protected 1,3-dicarbonyl compounds followed by hydrolysis of the vinyl sulphides formed is described. The total synthesis of dihydrojasmone and methylenomycin B employing this approach is reported.

  描述了一种有效的合成1,4-二羰基体系的方法，涉及α-磷酰硫与半保护的1,3-二羰基化合物的霍纳-维蒂希反应，然后水解所形成的乙烯基硫化物。报道二氢茉莉酮和采用这种方法甲霉素B的全合成。
• OXIME ESTER
  申请人：Nishimae Yuichi

  公开号：US20130188270A1

  公开（公告）日：2013-07-25

  Compounds of the formula (I), wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 and R 8 for example independently of each other are hydro-gen, C 1 -C 20 alkyl, (II), COR 16 or NO 2 , provided that at least one pair of R 1 and R 2 , R 2 and R 3 , R 3 and R 4 , R 5 and R 6 , R 6 and R 7 , or R 7 and R 8 is (III); R 9 , R 10 , R 11 and R 12 for example independently of each other are hydrogen, C 1 -C 20 alkyl which optionally substituted; or R 9 , R 10 , R 11 , and R 12 independently of each other are unsubstituted or substituted phenyl; X is CO or a direct bond; R 13 is for example C 1 -C 20 alkyl which optionally is substituted, C 2 -C 12 alkenyl, C 4 -C 8 cycloalkenyl, C 2 -C 12 alkinyl, C 3 -C 10 -cycloalkyl, phenyl or naphthyl both of which are optionally substituted; R 14 is for example hydrogen, C 3 -C 8 cycloalkyl, C 2 -C 5 alkenyl, C 1 -C 20 alkoxy, C 1 -C 20 alkyl, phenyl or naphthyl; R 15 is for example C 6 -C 20 aryl or C 5 -C 20 heteroaryl; R 16 is for example C 6 -C 20 aryl which is unsubstituted or substituted by one or more C 1 -C 20 alkoxy or C 1 -C 20 alkyl; are in particular suitable as photoinitiators for color filter applications.

  式(I)的化合物，其中R1、R2、R3、R4、R5、R6、R7和R8，例如独立地是氢、C1-C20烷基、(II)、COR16或NO2，条件是至少有一对R1和R2、R2和R3、R3和R4、R5和R6、R6和R7或R7和R8是(III)；R9、R10、R11和R12，例如独立地是氢、C1-C20烷基，可选择地被取代；或者R9、R10、R11和R12独立地是未取代或取代的苯基；X是CO或直接键；R13，例如C1-C20烷基，可选择地被取代，C2-C12烯基，C4-C8环烯基，C2-C12炔基，C3-C10环烷基，苯基或者萘基，两者可选择地被取代；R14，例如氢，C3-C8环烷基，C2-C5烯基，C1-C20烷氧基，C1-C20烷基，苯基或者萘基；R15，例如C6-C20芳基或C5-C20杂芳基；R16，例如C6-C20芳基，未取代或被一个或多个C1-C20烷氧基或C1-C20烷基取代；特别适用于彩色滤光片应用的光引发剂。
• [EN] OXIME ESTER DERIVATIVES OF BENZOCARBAZOLE COMPOUNDS AND THEIR USE AS PHOTOINITIATORS IN PHOTOPOLYMERIZABLE COMPOSITIONS<br/>[FR] DÉRIVÉS ESTER D'OXIME DE BENZOCARBAZOLES ET LEUR UTILISATION COMME PHOTOINITIATEURS DANS DES COMPOSITIONS PHOTOPOLYMÉRISABLES
  申请人：BASF SE

  公开号：WO2012045736A1

  公开（公告）日：2012-04-12

  Compounds of the formula (I), wherein R1, R2, R3, R4, R5, R6, R7 and R8 for example independently of each other are hydro- gen, C1-C20alkyl, (II), COR16 or NO2, provided that at least one pair of R1 and R2, R2 and R3, R3 and R4, R5 and R6, R6 and R7, or R7 and R8 is (III); R9, R10, R11 and R12 for example independently of each other are hydrogen, C1-C20alkyl which optionally substituted; or R9, R10, R11, and R12 independently of each other are unsubstituted or substituted phenyl; X is CO or a direct bond; R13 is for example C1-C20alkyl which optionally is substituted, C2-C12alkenyl, C4- C8cycloalkenyl, C2-C12alkinyl, C3-C10cycloalkyl, phenyl or naphthyl both of which are optionally substituted; R14 is for example hydrogen, C3-C8cycloalkyl, C2-C5alkenyl, C1-C20alkoxy, C1-C20alkyl, phenyl or naphthyl; R15 is for example C6-C20aryl or C5-C20heteroaryl; R16 is for example C6-C20aryl which is unsubstituted or substituted by one or more C1-C20alkoxy or C1-C20alkyl; are in particular suitable as photoinitiators for color filter applications.

  式(I)的化合物，其中R1、R2、R3、R4、R5、R6、R7和R8例如彼此独立地为氢、C1-C20烷基、(II)、COR16或NO2，前提是至少有一对R1和R2、R2和R3、R3和R4、R5和R6、R6和R7或R7和R8为(III)；R9、R10、R11和R12例如彼此独立地为氢、C1-C20烷基，可以选择地取代；或者R9、R10、R11和R12彼此独立地为未取代或取代的苯基；X为CO或直接键；R13例如为C1-C20烷基，可以选择地取代，C2-C12烯基，C4-C8环烯基，C2-C12炔基，C3-C10环烷基，苯基或萘基，两者均可以选择地取代；R14例如为氢、C3-C8环烷基、C2-C5烯基、C1-C20烷氧基、C1-C20烷基、苯基或萘基；R15例如为C6-C20芳基或C5-C20杂芳基；R16例如为未取代或取代的C6-C20芳基，其取代基为一个或多个C1-C20烷氧基或C1-C20烷基；特别适用于彩色滤光片应用的光引发剂。
• Organic Compounds
  申请人：Schilling Boris

  公开号：US20100113460A1

  公开（公告）日：2010-05-06

  Disclosed are compounds having the ability to inhibit cytochrome P450 2A6, 2A13, and/or 2B6 and tobacco products comprising them. Also disclosed are pharmaceutical compositions comprising them.

  揭示了一种具有抑制细胞色素P450 2A6、2A13和/或2B6能力的化合物，以及包含它们的烟草产品。还披露了包含这些化合物的药物组合物。