1-butyl-3-methyl-2-phospholene oxide | 92875-65-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 金属杂环化合物
• 英文名称: 1-butyl-3-methyl-2-phospholene oxide
• 英文别名: 1-Oxo-3-methyl-1-butyl-phospholin；1-butyl-4-methyl-2,3-dihydro-1H-phosphole 1-oxide；1-butyl-3-methyl-2-phospholene-1-oxide；1-Butyl-4-methyl-2,3-dihydro-1lambda5-phosphole 1-oxide；1-butyl-4-methyl-2,3-dihydro-1λ5-phosphole 1-oxide
• CAS: 92875-65-5
• 化学式: C₉H₁₇OP
• 分子量: 172.207
• InChiKey: UZSWCSCHUFPXAS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  1-n-butyl-2,5-dihydro-3-methyl-1H-phosphole 1-oxide 在 草酰氯 、 水 作用下， 以 二氯甲烷 为溶剂， 反应 48.5h， 生成 1-butyl-3-methyl-2-phospholene oxide
  参考文献：
  名称：

  磷烯氧化物的异构化及应用

  摘要：

  摘要 本研究对3-磷烯氧化物的异构化及其应用进行了研究。在热条件下研究了 3-磷烯氧化物异构化为 2-磷烯氧化物。在该反应中还测试了碱和酸的应用。此外，异构化也通过形成卤代鏻盐中间体来进行。3-磷烯氧化物被脱氧并转化为相应的钯配合物。图形概要

  DOI：

  10.1080/10426507.2018.1553043

文献信息

• Isomerization and application of phospholene oxides
  作者：Réka Herbay、Nikolett Péczka、Gábor Györke、Péter Bagi、Elemér Fogassy、György Keglevich

  DOI：10.1080/10426507.2018.1553043

  日期：2019.5.27

  Abstract In this research, an investigation of the isomerization and the applications of 3-phospholene oxides were elaborated. The isomerization of 3-phospholene oxides to 2-phospholene oxides was investigated under thermal condition. The application of bases and acids was also tested in this reaction. Moreover, the isomerization was also elaborated via the formation of halophosphonium salt intermediates

  摘要 本研究对3-磷烯氧化物的异构化及其应用进行了研究。在热条件下研究了 3-磷烯氧化物异构化为 2-磷烯氧化物。在该反应中还测试了碱和酸的应用。此外，异构化也通过形成卤代鏻盐中间体来进行。3-磷烯氧化物被脱氧并转化为相应的钯配合物。图形概要
• POLYCARBODIIMIDE COMPOSITION, METHOD FOR PRODUCING POLYCARBODIIMIDE COMPOSITION, WATER-DISPERSED COMPOSITION, SOLUTION COMPOSITION, RESIN COMPOSITION, RESIN CURED PRODUCT, AND CARBODIIMIDE CROSSLINKING AGENT FOR FIBER TREATMENT
  申请人：Mitsui Chemicals, Inc.

  公开号：EP3835333A1

  公开（公告）日：2021-06-16

  A polycarbodiimide composition is obtained by subjecting a reaction product of a straight-chain aliphatic diisocyanate and alcohols to carbodiimidization, and the alcohols include a polyol and a monool; in the alcohols, a mole ratio (hydroxyl group derived from polyol/ hydroxyl group derived from monool) of the amount of hydroxyl groups derived from the polyol to the amount of hydroxyl groups derived from the monool is below 2.0; and a carbodiimide equivalent of the polycarbodiimide composition is 300 g/mol or more and below 550 g/mol.

  将直链脂肪族二异氰酸酯和醇的反应产物进行碳二亚胺化反应可得到一种聚碳二亚胺组合物，醇包括多元醇和一元醇；在醇中，多元醇衍生的羟基与一元醇衍生的羟基的摩尔比（多元醇衍生的羟基/一元醇衍生的羟基）低于 2.0；聚碳化二亚胺组合物的碳化二亚胺当量为 300 克/摩尔或以上，低于 550 克/摩尔。
• POLYCARBODIIMIDE COMPOSITION, PRODUCING METHOD OF POLYCARBODIIMIDE COMPOSITION, AQUEOUS DISPERSION COMPOSITION, SOLUTION COMPOSITION, RESIN COMPOSITION, RESIN CURED PRODUCT, AND CARBODIIMIDE CROSS-LINKING AGENT FOR FIBER TREATMENT
  申请人：MITSUI CHEMICALS, INC.

  公开号：US20210380804A1

  公开（公告）日：2021-12-09

  A polycarbodiimide composition is obtained by subjecting a reaction product of a straight-chain aliphatic diisocyanate and alcohols to carbodiimidization, and the alcohols include a polyol and a monool; in the alcohols, a mole ratio (hydroxyl group derived from polyol/hydroxyl group derived from monool) of the amount of hydroxyl groups derived from the polyol to the amount of hydroxyl groups derived from the monool is below 2.0; and a carbodiimide equivalent of the polycarbodiimide composition is 300 g/mol or more and below 550 g/mol.
• US4010209A
  申请人：——

  公开号：US4010209A

  公开（公告）日：1977-03-01
• Preparation of 2-phospholene oxides by the isomerization of 3-phospholene oxides
  作者：Péter Bagi、Réka Herbay、Nikolett Péczka、Zoltán Mucsi、István Timári、and György Keglevich

  DOI：10.3762/bjoc.16.75

  日期：——

  obtained by heating the 3-phospholene oxides in methanesulfonic acid, or via the formation of cyclic chlorophosphonium salts. Whereas mixtures of the 2- and 3-phospholene oxides formed, when the isomerization of 3-phospholene oxides was attempted under thermal conditions, or in the presence of a base. The mechanisms of the various double bond migration pathways were elucidated by quantum chemical calculations

  通过双键重排，由相应的3-氧化膦制备一系列1-取代的-3-甲基-2-氧化膦。可以通过在甲磺酸中加热3-氧化膦或通过形成环状氯膦盐来获得2-氧化膦。然而，当在热条件下或在碱的存在下尝试3-环氧丙烷的异构化时，形成了2-环氧丙烷和3-环氧丙烷的混合物。量子化学计算阐明了各种双键迁移途径的机理。