3-Oxa-1-azaspiro[4.7]dodecane | 597-74-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂螺癸烷衍生物
• 英文名称: 3-Oxa-1-azaspiro[4.7]dodecane
• CAS: 597-74-0
• 化学式: C₁₀H₁₉NO
• 分子量: 169.26
• InChiKey: QFTPFOKTQVNQDE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  21.3
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• NITRATED HYDROCARBONS, DERIVATIVES, AND PROCESSES FOR THEIR MANUFACTURE
  申请人：ANGUS Chemical Company

  公开号：US20160039843A1

  公开（公告）日：2016-02-11

  Provided is a process for the formation of nitrated compounds by the nitration of hydrocarbon compounds with dilute nitric acid. Also provided are processes for preparing industrially useful downstream derivatives of the nitrated compounds, as well as novel nitrated compounds and derivatives, and methods of using the derivatives in various applications.

  提供了一种通过使用稀硝酸对碳氢化合物进行硝化形成硝基化合物的过程。还提供了制备硝基化合物的工业上有用的下游衍生物的过程，以及新颖的硝基化合物和衍生物，以及在各种应用中使用衍生物的方法。
• NITRATED HYDROCARBONS AND DERIVATIVES
  申请人：ANGUS CHEMICAL COMPANY

  公开号：EP3121162A1

  公开（公告）日：2017-01-25

  A compound selected from the group consisting of formula I-1, II-1, III-1 and IV-1: or a compound selected from the group consisting of: 2-(hydroxylamino)hexane, 3-(hydroxylamino)hexane, 2-(hydroxylamino)octane, and 3-(hydroxylamino)octane, wherein: R7 and R9 are independently linear C2-C17 alkyl; R11 is an unsubstituted linear C2-C17 alkyl; R8 is H or linear C1-C8 alkyl; R10 and R14 are independently H, linear C1-C8 alkyl, or CH2OH, or R9, R10, and the carbon to which they are attached form an eight membered cycloalkyl ring; R12 is H, an unsubstituted linear C1-C8 alkyl, or CH2OH, or R11, R12, and the carbon to which they are attached form a C9-C11 cycloalkyl ring; R13 is C2-C20 alkyl, C3-C12 cycloalkyl, aryl, or aryl-alkyl-; R14 is H or C1-C12 alkyl, or R13 and R14 together with the carbon to which they are attached form a C3-C12 cycloalkyl ring; R15 is H, or R14, R15, and the atoms to which they are attached form an oxazolidine ring that is optionally substituted with C1-C6 alkyl; and R16 is H, C1-C12 alkyl, C3-C12 cycloalkyl, or aryl; provided that: when the compound is selected from formula I-1, the total number of carbons in R7 and R8, together with the carbon to which they are attached, is 10 to 18; and the compound is not 1-nitrodecane, 2-nitrodecane, 1-nitroundecane, 2-nitroundecane, 3-nitroundecane, 4-nitroundecane, 5-nitroundecane, 6-nitroundecane, 1-nitrododecane, 2-nitrododecane, 3-nitrododecane, 4-nitrododecane, 5-nitrododecane, 6-nitrododecane, 1-nitrotridecane, 2-nitrotridecane, 3-nitrotridecane, 6-nitrotridecane, 1-nitrotetradecane, 1-nitropentadecane, 1-nitrohexadecane, 2-nitrohexadecane, 1-nitroheptadecane, 1-nitrooctadecane, or 2-nitrooctadecane; when the compound is selected from formula II-1, if R10 is H or linear C1-C8 alkyl, the total number of carbons in R9 and R10, together with the carbon to which they are attached, is 5 to 18; or if R10 is CH2OH, R9 is linear C12-C16 alkyl; and the compound is not 2-nitro-1-hexanol, 2-nitro-1-heptanol, 2-nitro-1-octanol, 2-methyl-2-nitro-1-heptanol, or 2-nitro-1-dodecanol; when the compound is selected from formula III-1, if R12 is H or linear C1-C8 alkyl, the total number of carbons in R11 and R12, together with the carbon to which they are attached, is 6 to 18; or if R12 is CH2OH, R11 is linear C7-C17 alkyl; and the compound is not 2-amino-1-heptanol, 2-amino-2-methyl-1-hexanol, 2-amino-1-octanol, 2-amino-2-ethyl-1-hexanol, 2-amino-1-nonanol, 2-amino-2-methyl-1-octanol, 2-amino-1-decanol, 2-amino-2-octyl-1,3-propanediol, 2-amino-2-butyl-1-hexanol, 2-amino-1-undecanol, 2-amino-1-dodecanol, 2-amino-2-decyl-1,3-propanediol, 2-amino-1-tridecanol, 2-amino-2-methyl-1-dodecanol, 2-amino-1-tetradecanol, 2-amino-2-dodecyl-1,3-propanediol, 2-amino-2-methyl-1-tridecanol, 2-amino-1-pentadecanol, 2-amino-2-tridecyl-1,3-propanediol, 2-amino-1-hexadecanol, 2-amino-2-tetradecyl-1,3-propanediol, 2-amino-2-methyl-1-pentadecanol, 2-amino-2-hexyl-1-decanol, 2-amino-1-heptadecanol, 2-amino-2-pentadecyl-1,3-propanediol, 2-amino-1-octadecanol, or 2-amino-2-hexadecyl-1,3-propanediol; and when the compound is selected from formula IV-1, if R13 is an ethyl group, R14 is not H; and the compound is not 5-propyl-1-aza-3,7-dioxabicyclo[3.3.0]octane, 4,4-diethyl-1-oxa-3-azacyclopentane, 3-oxa-1-azaspiro[4.4]nonane, 3-oxa-1-azaspiro[4.5]decane, or 3-oxa-1-azaspiro[4.7]dodecane.

  从式 I-1、II-1、III-1 和 IV-1 所组成的组中选出的化合物： 或选自以下组别的化合物2-(羟基氨基)己烷、3-(羟基氨基)己烷、2-(羟基氨基)辛烷和 3-(羟基氨基)辛烷，其中：R7 和 R9 独立地是线性 C2-C17 烷基；R11 是未取代的线性 C2-C17 烷基；R8 是 H 或线性 C1-C8 烷基；R10 和 R14 独立地是 H、线性 C1-C8 烷基或 CH2OH，或 R9、R10 和它们所连接的碳形成八位环烷基环；R12 是 H、未取代的线性 C1-C8 烷基或 CH2OH，或 R11、R12 和它们所连接的碳形成 C9-C11 环烷基环；R13 是 C2-C20 烷基、C3-C12 环烷基、芳基或芳基烷基；R14 是 H 或 C1-C12 烷基，或 R13 和 R14 与它们连接的碳一起形成 C3-C12 环烷基环；R15 是 H，或 R14、R15 和它们连接的原子形成任选被 C1-C6 烷基取代的噁唑烷环；以及 R16 是 H、C1-C12 烷基、C3-C12 环烷基或芳基； 条件是当化合物选自式 I-1 时，R7 和 R8 中的碳原子总数连同它们所连接的碳原子数为 10 至 18；且该化合物不是 1-硝基十二烷、2-硝基十二烷、1-硝基十四烷、2-硝基十四烷、3-硝基十四烷、4-硝基十四烷、5-硝基十四烷、6-硝基十四烷、1-硝基十二烷、2-硝基十二烷、3-硝基十二烷、4-硝基十二烷、5-硝基十二烷6-硝基十二烷、1-硝基十三烷、2-硝基十三烷、3-硝基十三烷、6-硝基十三烷、1-硝基十四烷、1-硝基十五烷、1-硝基十六烷、2-硝基十六烷、1-硝基十七烷、1-硝基十八烷或 2-硝基十八烷；当化合物选自式 II-1 时，如果 R10 是 H 或直链 C1-C8 烷基，则 R9 和 R10 中的碳原子总数连同它们所连接的碳原子数为 5 至 18；或者如果 R10 是 CH2OH，则 R9 是直链 C12-C16 烷基；并且化合物不是 2-硝基-1-己醇、2-硝基-1-庚醇、2-硝基-1-辛醇、2-甲基-2-硝基-1-庚醇或 2-硝基-1-十二烷醇；当化合物选自式 III-1，如果 R12 是 H 或线型 C1-C8 烷基，则 R11 和 R12 中的碳原子总数连同它们所连接的碳原子数为 6 至 18；或者如果 R12 是 CH2OH，则 R11 是线型 C7-C17 烷基；且化合物不是 2-氨基-1-庚醇、2-氨基-2-甲基-1-己醇、2-氨基-1-辛醇、2-氨基-2-乙基-1-己醇、2-氨基-1-壬醇、2-氨基-2-甲基-1-辛醇、2-氨基-1-癸醇、2-氨基-2-辛基-1、3-丙二醇、2-氨基-2-丁基-1-己醇、2-氨基-1-十一醇、2-氨基-1-十二醇、2-氨基-2-癸基-1,3-丙二醇、2-氨基-1-十三醇、2-氨基-2-甲基-1-十二醇、2-氨基-1-十四醇、2-amino-2-dodecyl-1,3-propanediol, 2-amino-2-methyl-1-tridecanol, 2-amino-1-pentadecanol, 2-amino-2-tridecyl-1,3-propanediol, 2-amino-1-hexadecanol, 2-amino-2-tetradecyl-1,3-propanediol、2-amino-2-methyl-1-pentadecanol, 2-amino-2-hexyl-1-decanol, 2-amino-1-heptadecanol, 2-amino-2-pentadecyl-1,3-propanediol, 2-amino-1-octadecanol, 或 2-amino-2-hexadecyl-1,3-propanediol；当化合物选自式 IV-1 时，如果 R13 是乙基，R14 不是 H；且化合物不是 5-丙基-1-氮杂-3,7-二氧杂环[3.3.0]辛烷、4,4-二乙基-1-氧杂-3-氮杂环戊烷、3-氧杂-1-氮杂螺[4.4]壬烷、3-氧杂-1-氮杂螺[4.5]癸烷或 3-氧杂-1-氮杂螺[4.7]十二烷。
• Nitrated hydrocarbons, derivatives, and processes for their manufacture
  申请人：ANGUS Chemical Company

  公开号：US10377771B2

  公开（公告）日：2019-08-13

  Provided is a process for the formation of nitrated compounds by the nitration of hydrocarbon compounds with dilute nitric acid. Also provided are processes for preparing industrially useful downstream derivatives of the nitrated compounds, as well as novel nitrated compounds and derivatives, and methods of using the derivatives in various applications.

  本发明提供了一种通过用稀硝酸硝化碳氢化合物来形成硝化化合物的工艺。此外，还提供了制备工业上有用的硝化化合物下游衍生物、新型硝化化合物和衍生物的工艺，以及在各种应用中使用这些衍生物的方法。
• PROCESSES FOR THE MANUFACTURE OF NITROBUTANE AND ITS DERIVATIVES
  申请人：ANGUS Chemical Company

  公开号：EP2280927B1

  公开（公告）日：2016-11-02
• PROCESS FOR PREPARING NITRATED HYDROCARBONS AND THEIR DERIVATIVES
  申请人：ANGUS CHEMICAL COMPANY

  公开号：EP3121162B1

  公开（公告）日：2021-05-26