Diheptyl-chlor-phosphat | 97032-28-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磷酸及其衍生物
• 英文名称: Diheptyl-chlor-phosphat
• 英文别名: phosphorochloridic acid diheptyl ester；1-[Chloro(heptoxy)phosphoryl]oxyheptane；1-[chloro(heptoxy)phosphoryl]oxyheptane
• CAS: 97032-28-5
• 化学式: C₁₄H₃₀ClO₃P
• 分子量: 312.817
• InChiKey: BAAIJPNWVQTSPU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  19
• 可旋转键数：
  14
• 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：

  Diheptyl-chlor-phosphat 在 potassium fluoride 、 苄基三乙基氯化铵 作用下， 以 二氯甲烷 为溶剂， 生成 Phosphorofluoridic acid diheptyl ester
  参考文献：
  名称：

  Ethyl Octylphosphonofluoridate and Analogs: Optimized Inhibitors of Neuropathy Target Esterase

  摘要：

  The relation between organophosphorus-induced delayed neuropathy (OPIDN) and brain neuropathy target esterase (NTE) inhibition is further examined in hens by structure-activity studies leading to the most potent in vitro NTE inhibitors known, which are then examined for their neuropathic effects in vivo in hens. The principal compounds studied are alkyl alkylphosphonofluoridates and dialkyl phosphorofluoridates. Potencies that exceed those of any previous inhibitors under the standard in vitro NTE assay condition are achieved with alkyl octylphosphonofluoridates (ethyl, isopropyl, 2-chloroethyl, 2-bromoethyl, 2-iodoethyl, and 3-iodopropyl), 2-iodoethyl hexylphosphonofluoridate, and dialkyl phosphorofluoridates [ethyl, nonyl; di(2-iodoethyl); di(3-iodopropyl); dipentyl]. The concentration for 50% NTE inhibition (I-50) Of these compounds is 0.04-0.14 nM. Thirty-eight less active analogs including aryl phosphonates and aryl phosphates give I(50)s of 0.27-4730 nM. For highest potency the summation of length of the alkyl and alkoxy groups on phosphorus should be 12-16 atoms (carbons, oxygens, and phosphorus) (a terminal iodo substituent in this relationship is equivalent to a propyl group). In general, the phosphonofluoridates and phosphorofluoridates are more active than analogs with leaving groups other than fluorine, i.e., phenoxy, 4-nitrophenoxy, 4-cyanophenoxy, 3,4-dichlorophenoxy, and 4H-1,3,2-benzodioxaphosphorin. Considering the exceptional potencies of ethyl and 2-iodoethyl octylphosphonofluoridates (I50S of 0.04 and 0.09 nM, respectively), it is not surprising that at ip doses of 10-30 mg/kg they inhibit brain NTE by 82-97% 48 h after treatment. However, unexpectedly, only the ethyl but not the 2-iodoethyl compound induces OPIDN, possibly associated with the greater ease of aging for NTE inhibited with the ethyl than the 2-iodoethyl compound (as observed in vitro both spontaneously and on induction by potassium fluoride). The high potency of ethyl octylphosphonofluoridate and several analogs as NTE inhibitors suggests that they are useful probes in determining the toxicological features of this secondary lesion for organophosphorus poisoning.

  DOI：

  10.1021/tx00050a011
• 作为产物：
  描述：

  正庚醇 在 三乙胺 、 三氯氧磷 作用下， 以 二氯甲烷 为溶剂， 生成 Diheptyl-chlor-phosphat
  参考文献：
  名称：

  Ethyl Octylphosphonofluoridate and Analogs: Optimized Inhibitors of Neuropathy Target Esterase

  摘要：

  The relation between organophosphorus-induced delayed neuropathy (OPIDN) and brain neuropathy target esterase (NTE) inhibition is further examined in hens by structure-activity studies leading to the most potent in vitro NTE inhibitors known, which are then examined for their neuropathic effects in vivo in hens. The principal compounds studied are alkyl alkylphosphonofluoridates and dialkyl phosphorofluoridates. Potencies that exceed those of any previous inhibitors under the standard in vitro NTE assay condition are achieved with alkyl octylphosphonofluoridates (ethyl, isopropyl, 2-chloroethyl, 2-bromoethyl, 2-iodoethyl, and 3-iodopropyl), 2-iodoethyl hexylphosphonofluoridate, and dialkyl phosphorofluoridates [ethyl, nonyl; di(2-iodoethyl); di(3-iodopropyl); dipentyl]. The concentration for 50% NTE inhibition (I-50) Of these compounds is 0.04-0.14 nM. Thirty-eight less active analogs including aryl phosphonates and aryl phosphates give I(50)s of 0.27-4730 nM. For highest potency the summation of length of the alkyl and alkoxy groups on phosphorus should be 12-16 atoms (carbons, oxygens, and phosphorus) (a terminal iodo substituent in this relationship is equivalent to a propyl group). In general, the phosphonofluoridates and phosphorofluoridates are more active than analogs with leaving groups other than fluorine, i.e., phenoxy, 4-nitrophenoxy, 4-cyanophenoxy, 3,4-dichlorophenoxy, and 4H-1,3,2-benzodioxaphosphorin. Considering the exceptional potencies of ethyl and 2-iodoethyl octylphosphonofluoridates (I50S of 0.04 and 0.09 nM, respectively), it is not surprising that at ip doses of 10-30 mg/kg they inhibit brain NTE by 82-97% 48 h after treatment. However, unexpectedly, only the ethyl but not the 2-iodoethyl compound induces OPIDN, possibly associated with the greater ease of aging for NTE inhibited with the ethyl than the 2-iodoethyl compound (as observed in vitro both spontaneously and on induction by potassium fluoride). The high potency of ethyl octylphosphonofluoridate and several analogs as NTE inhibitors suggests that they are useful probes in determining the toxicological features of this secondary lesion for organophosphorus poisoning.

  DOI：

  10.1021/tx00050a011

文献信息

• [EN] PROCESS FOR THE SYNTHESIS OF BETA GLYCEROL PHOSPHATE<br/>[FR] PROCÉDÉ DE SYNTHÈSE DE BÊTA GLYCÉROPHOSPHATE
  申请人：SIGMA ALDRICH CO

  公开号：WO2010080969A1

  公开（公告）日：2010-07-15

  The present invention provides methods for the preparation of beta glycerol phosphate and its salts. In particular, the invention provides efficient methods for the synthesis of beta glycerol phosphate of high purity.

  本发明提供了制备β甘油磷酸及其盐的方法。特别是，本发明提供了高纯度β甘油磷酸的有效合成方法。
• Synthesis, characterization and electrochemical behavior of new bis(fluoroalkyl) ferrocenylphosphonates and their tin tetrachloride complexes
  作者：Hanen Mechi、M.A.K. Sanhoury、F. Laribi、E. Manoury、M. Mastouri、N. Raouafi、A. Bousseksou、M. T. Ben Dhia

  DOI：10.1016/j.jorganchem.2021.122178

  日期：2022.1

  The synthesis of fluoroalkyl and non-fluorinated long chain alkyl ferrocenylphosphonates of the type FcP(O)(OR)2 (Fc: ferrocenyl; R = CH2CF3 (1), CH2C2F5 (2), Et (3) n-Hex (4), n-Hep (5) and n-Oct (6)) from reaction of ferrocene with corresponding phosphorochloridates is reported. The ferrocenyl phosphonates 1-4 were used as ligands, which reacted with tin(IV) chloride to produce the new complexes

  FcP(O)(OR) 2类型的氟代烷基和非氟化长链烷基二茂铁基膦酸酯的合成（Fc：二茂铁基；R = CH 2 CF 3 (1), CH 2 C 2 F 5 (2), Et ( 3) 报道了来自二茂铁与相应的氯化磷反应的 n-Hex (4)、n-Hep (5) 和 n-Oct (6))。二茂铁膦酸酯 1-4 用作配体，与氯化锡 (IV) 反应生成新的配合物 [SnCl 4 (1) 2 ] (7), [SnCl 4 (2) 2 ] (8), [SnCl 4 (3) 2 ] (9) 和 [SnCl 4 (4) 2] (10)。所有这些二茂铁基膦酸酯衍生物均采用多核（1 H、13 C、19 F、31 P 和119 Sn）NMR、IR 和紫外-可见光谱技术进行表征。使用循环伏安法 (CV) 研究了这些化合物的电化学行为；结果表明，氟代烷基呈现反向单电子转移的氧化反应更加困难（ΔE 1/2 相比，非氟化烷基（如ΔE=
• Flame retardant, additive compositions, and flame retardant polyurethanes
  申请人：Hussain Saadat

  公开号：US20050113495A1

  公开（公告）日：2005-05-26

  Provided are new flame retardants and liquid flame retardant additive compositions of low viscosity for use in flexible polyurethane foams. The new flame retardants are the reaction product of at least one brominated aromatic diester diol with at least one alcohol-reactive agent. Preferred liquid flame retardant additive compositions are capable of minimizing visible scorching of the foam during its production. Flexible flame retardant polyurethane foams and methods for their production are also provided. The flame retardant additive compositions are formed at least from a) at least one reaction product of a brominated aromatic diester diol and an alcohol-reactive agent; b) at least one hindered amine antioxidant; and c) at least one phenolic antioxidant in which the phenolic ring is substituted by an alkanoic acid alkyl ester group in which alkanoic acid moiety has in the range of 2 to about 4 carbon atoms and the alkyl group has in the range of about 6 to about 16 carbon atoms.

  本文提供了用于软质聚氨酯泡沫的新型阻燃剂和低粘度液体阻燃添加剂组合物。新型阻燃剂是至少一种溴化芳香族二酯二醇与至少一种醇反应剂的反应产物。优选的液态阻燃添加剂组合物能够在泡沫生产过程中最大限度地减少可见的焦烧现象。此外，还提供了柔性阻燃聚氨酯泡沫及其生产方法。阻燃添加剂组合物至少由以下物质形成：a) 至少一种溴化芳香族二酯二元醇与醇反应剂的反应产物；b) 至少一种受阻胺抗氧化剂；c) 至少一种酚类抗氧化剂，其中酚环被烷酸烷基酯基团取代，烷酸分子的碳原子数在 2 至约 4 之间，烷基的碳原子数在约 6 至约 16 之间。
• Grosse-Ruyken,H.; Uhlig,K., Journal fur praktische Chemie (Leipzig 1954), 1962, vol. 18, p. 287 - 291
  作者：Grosse-Ruyken,H.、Uhlig,K.

  DOI：——

  日期：——
• Derivatives of phosphorus acids and ?-chloroallyl alcohol
  作者：B. A. Arbuzov、V. M. Zoroastrova、I. D. Neklesova、M. A. Kudrina、N. V. Egorova、G. A. Tudrii

  DOI：10.1007/bf00853779

  日期：1972.5