2-methoxy-5,5-dimethyl-[1,3,2]dioxaphosphinane 2-oxide | 1005-96-5

• 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: 2-methoxy-5,5-dimethyl-[1,3,2]dioxaphosphinane 2-oxide
• 英文别名: 2-methoxy-2-oxo-5,5-dimethyl-1,3,2-dioxaphosphorinane；2-methoxy-5,5-dimethyl-1,3,2-dioxaphosphorinane, 2-oxide；2-Methoxy-2-oxo-5,5-dimethyl-1,3-dioxa-2-phosphorinan；5,5-Dimethyl-2-oxo-2-methoxy-1,3,2-dioxa-phosphorinan；2-Methoxy-2-oxo-5,5-dimethyl-1,3,2-dioxaphosphorinan；2-Oxo-2-methoxy-5.5-dimethyl-1.3.2-dioxaphosphorinan；1,3,2-Dioxaphosphorinane, 2-methoxy-5,5-dimethyl-, 2-oxide；2-methoxy-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
• CAS: 1005-96-5
• 化学式: C₆H₁₃O₄P
• 分子量: 180.141
• InChiKey: HHZSLQGPHYVMOQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2934999090

反应信息

• 作为产物：
  描述：

  2,2-二甲基-1,3-丙二醇 在 cesium fluoride 作用下， 以 叔丁醇 为溶剂， 生成 2-methoxy-5,5-dimethyl-[1,3,2]dioxaphosphinane 2-oxide
  参考文献：
  名称：

  合成磷酸三烷基酯的一般酯交换方法。

  摘要：

  DOI：

  10.1021/ja00446a057

文献信息

• Cyclic organophosphorus compounds—II
  作者：R.S. Edmundson

  DOI：10.1016/s0040-4020(01)98496-0

  日期：1964.1

  The IR spectra of 47 1,3,2-dioxaphosphorinanes, mostly new compounds, have been recorded and discussed. Assignments have been made to PO, POC (alkyl and aryl), PS and PN stretching motions. In addition,it is suggested tentatively that multiple bands found at around 1000 to 1050 cm−1 and at around 1150 to 1200 cm−1 may be due to ring PO(C) vibrations.

  记录和讨论了47种1,3,2-二氧杂磷酰萘啉（主要是新化合物）的红外光谱。分配给P，O，POC（烷基和芳基），PS和PN拉伸运动。另外，初步建议在大约1000至1050 cm -1和大约1150至1200 cm -1处发现多个频带可能是由于环PO（C）振动所致。
• Rate and Product Studies in the Solvolyses of Two Cyclic Phosphorochloridate Esters
  作者：Han Joong Koh、Suk Jin Kang、Dennis N. Kevill

  DOI：10.1080/10426500903061525

  日期：2010.6.30

  product studies of the solvolyses of acyclic phosphorochloridates are extended to two cyclic diesters, 2-chloro-1,3,2-dioxaphospholane-2-oxide (1) and 2-chloro-5,5-dimethyl-1,3,2-dioxaphosphorinane-2-oxide (2). Slightly faster solvolyses are observed for 1 than for the acyclic dimethyl phosphorochloridate (3), and 2 solvolyzes somewhat slower than 3. An extended Grunwald–Winstein equation treatment

  无环磷酰氯溶剂解的动力学和产物研究扩展到两种环状二酯，2-氯-1,3,2-二氧杂磷烷-2-氧化物 (1) 和 2-氯-5,5-二甲基-1,3， 2-dioxaphosphorinane-2-氧化物 (2)。观察到 1 的溶剂分解比无环二甲基磷酰氯 (3) 稍快，2 的溶剂分解比 3 稍慢。 扩展的 Grunwald-Winstein 方程处理显示对 1、2 和 2 的溶剂亲核性和溶剂电离能力的变化具有相似的敏感性3，并且在每种情况下都提出了协调一致的SN2攻击。介绍了 2 在水性醇中的溶剂分解产物研究。
• Reaction Mechanism Studies of Solvolytic Displacement of Chloride from Phosphorus
  作者：Han Joong Koh、Suk Jin Kang、Dennis N. Kevill

  DOI：10.1080/10426500701734943

  日期：2008.1.14

  The extended Grunwald-Winstein equation is applied to solvolytic displacement at phosphorus. Previous studies of the solvolyses of phosphorochloridates (RO)2POCl, Ph2POCl and [(CH3)2N]2POCl are extended to cyclic phosphorochloridates, with five and six membered rings. Both kinetic and product ratio measurements are made. The equation is also applied to kinetic studies of the solvolyses of Ph2PCl. The

  扩展的 Grunwald-Winstein 方程适用于磷的溶剂分解位移。先前对氯化磷 (RO)2POCl、Ph2POCl 和 [(CH3)2N]2POCl 的溶剂分解的研究扩展到具有五元环和六元环的环状磷氯化物。进行动力学和产物比率测量。该方程也适用于 Ph2PCl 溶剂分解的动力学研究。将 l 和 m 灵敏度值与之前的值和硫侵蚀值进行比较，以提供有用的机械信息。
• N-benzoyl O,O-dialkyl phosphoranilidates: reaction with O- and N-nucleophiles
  作者：Janina Baraniak、Wojciech J. Stec

  DOI：10.1016/s0040-4039(00)79902-3

  日期：1991.8

  Solvolysis of mixed phosphoric-carboxylic N-phenylimides occurs with exclusive attack of nucleophilies at the carbonyl carbon centre and is accompanied by phosphoryl N->O migration.

  混合的磷酸-羧基N-苯酰亚胺的溶剂分解发生在羰基碳中心亲核分子的排他性攻击下，并伴随着磷酸基N-> O的迁移。
• Flame retarding agent, flame-retardant aqueous resin composition and flame-retardant urethane resin composition containing said flame-retarding agent, and use therefor
  申请人：Daihachi Chemical Industry Co., Ltd.

  公开号：US10000625B2

  公开（公告）日：2018-06-19

  The present invention relates to a flame-retarding agent comprising a phosphoramidate compound represented by Formula (I): wherein R1 and R2 are each independently C1-3 alkyl, R11 and R12 are each independently C1-3 alkylene, R13 is C1-6 alkylene, B1 is hydrogen or C1-6 alkyl, and A is hydrogen or an organic group represented by Formula (Ia): wherein R3 and R4 are each independently C1-3 alkyl, R14 and R15 are each independently C1-3 alkylene, and B2 is hydrogen or C1-6 alkyl, wherein when B1 is C1-6 alkyl, and A is hydrogen, B1 and R13-A, taken together with nitrogen to which they are attached, may form a non-aromatic nitrogen-containing heterocycle, and wherein when B1 is C1-6 alkyl, A is an organic group represented by Formula (Ia), and B2 is C1-6 alkyl, B1 and B2, taken together with nitrogen to which they are attached and with R13, may form a non-aromatic nitrogen-containing heterocycle.

  本发明涉及一种阻燃剂，它包含由式（I）表示的磷酰胺化合物： 其中 R1 和 R2 各自独立地为 C1-3 烷基，R11 和 R12 各自独立地为 C1-3 亚烷基，R13 为 C1-6 亚烷基，B1 为氢或 C1-6 烷基，A 为氢或由式 (Ia) 表示的有机基团： 其中 R3 和 R4 各自独立地为 C1-3 烷基，R14 和 R15 各自独立地为 C1-3 亚烷基，B2 为氢或 C1-6 烷基、 其中当 B1 是 C1-6 烷基，A 是氢时，B1 和 R13-A 与它们所连接的氮一起可形成非芳香族含氮杂环，以及 其中当 B1 为 C1-6 烷基，A 为式（Ia）所代表的有机基团，B2 为 C1-6 烷基时，B1 和 B2 与它们所连接的氮和 R13 一起可形成非芳香族含氮杂环。