2-amino-2,5-dimethyl-5-hydroxy-hex-3-yne | 101253-13-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-amino-2,5-dimethyl-5-hydroxy-hex-3-yne
• 英文别名: 5-amino-2,5-dimethyl-hex-3-yn-2-ol；2-Amino-2,5-dimethyl-5-hydroxy-hex-3-in；5-Amino-2,5-dimethyl-hex-3-in-2-ol；5-Amino-2,5-dimethylhex-3-yn-2-ol
• CAS: 101253-13-8
• 化学式: C₈H₁₅NO
• mdl: MFCD19206270
• 分子量: 141.213
• InChiKey: BOCDYTJBBFORCP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  46.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  bis(cycloocta-1,5-diene)platinum(0) 、 2-amino-2,5-dimethyl-5-hydroxy-hex-3-yne 以 乙醚 为溶剂， 以87%的产率得到bis(2-amino-2,5-dimethyl-5-hydroxy-hex-3-in)platinum(O)
  参考文献：
  名称：

  Platin(0)‐Komplexe mit amino‐substituierten Alkinen: Neue Metallorganische Bausteine für supramolekulare Architekturen und „Kristall‐Engineering”︁

  摘要：

  Homoleptic Bis(alkyne)platinum(0) compounds containing either NH2- or NH2-/OH-substituents are formed by reaction of Pt(cod)(2) with alkynes as stable compounds. They can be used as variable building blocks for supramolecular networks. The crystal structure analyses of Bis(2-amino-2,5-dimethyl-5-hydroxy-hex-3-yne)platinum(0) (1) and of Bis(l(3-amino-3-methyl-but-l-inyl)-cyclohexane-l-ol)platinum(0) (2) exhibit that the low-valent Pt atom is tetrahedrally surrounded by the four sp-hybridizated carbonatoms of the alkynes. Despite the fact that the bond lengths and -angles of the PtC4 units are equal, the supramolecular structures are different. While in 1 polymer strands are formed in which the bis(alkyne)-Pt-0 units are connected by (OH)(2)(NH2)(2)- tetrahedrons, 2 yields only a dimer containing a network of four OH- and two NH2-groups. Platinum(0) complexes with cationic alkynes bearing ammonium substituents can be isolated as thermal stable compounds. The X-ray structures of [C(FH+)Pt(cod)](4) (8) reveals that four molecular units form a cube with both four NH3+ groups and Cl- at the corners connected by hydrogen bridges. In the bis(alkyne)Pt-0 complex [Cl-1.5(FH+)(1.5)(F)(0.5)Pt] (9) only 1.33 of two NH2 groups are protonated and a hydrogen bridged network connects four bis(alkyne)Pt-0 units (cod: cycloocta-1.5-diene, F: 1-(trimethylsilylethinyl)-1-amino-cyclohexane).

  DOI：

  10.1002/1521-3749(200201)628:1<20::aid-zaac20>3.0.co;2-#
• 作为产物：
  描述：

  2-甲基-3-丁炔-2-胺 在 乙醚 、 氨 、 sodium amide 作用下， 生成 2-amino-2,5-dimethyl-5-hydroxy-hex-3-yne
  参考文献：
  名称：

  Acetylenic 1,4-Aminoalcohols¹

  摘要：

  DOI：

  10.1021/jo01113a017

文献信息

• [EN] AZA-ANDROSTANE-17 beta -CARBOXAMIDES<br/>[FR] AZA-ANDROSTANE-17 beta -CARBOXAMIDES
  申请人：CIBA-GEIGY AG

  公开号：WO1994022900A1

  公开（公告）日：1994-10-13

  (EN) 17$g(b)-substituted aza-androstane derivatives of formula (I) wherein carbon atoms 1 and 2 are joined by a single bond or by a double bond, R1 is hydrogen, methyl or ethyl, R2 is hydrogen or lower alkyl, R3 and R4 are each independently of the other hydrogen or lower alkyl, or together are C2-C6 alkylene, X and Y are each independently of the other hydrogen or lower alkyl or together form a bond, and R5 is hydrogen, unsubstituted or substituted lower alkyl, unsubstituted or substituted phenyl, halogen, cyano, formyl or free or functionally modified carboxy, and salts thereof, are inhibitors of 5$g(a)-reductase and can be used in the therapeutic treatment of the human and animal body.(FR) Dérivés d'aza-androstane 17$g(b)-substitué répondant à la formule (I), dans laquelle les atomes de carbone 1 et 2 sont reliés l'un à l'autre par une liaison simple ou une liaison double; R1 représente hydrogène, méthyle ou éthyle; R2 représente hydrogène ou alkyle inférieur; R3 et R4, indépendamment l'un de l'autre, représentent hydrogène ou alkyle inférieur ou, pris ensemble, représentent alkylène C2-6; X et Y, indépendamment l'un de l'autre, représentent hydrogène ou alkyle inférieur ou, pris ensemble, forment une liaison; et R5 représente hydrogène, alkyle inférieur éventuellement substitué, phényle éventuellement substitué, halogène, cyano, formyle ou carboxy libre ou à modification fonctionnelle; et leurs sels. Ces dérivés sont des inhibiteurs de la réductase 5$g(a) et peuvent être utilisés dans le traitement thérapeutique de l'organisme humain ou animal.

  17$g(b)-取代的aza-androstane衍生物是一种遵循式(I)的化合物，其中碳原子1和2通过单键或双键相连；R1为氢、甲基或乙基；R2为氢或较低的烷基；R3和R4各自独立地为氢或较低的烷基，或一起构成C2至C6的碳烯基；X和Y各自独立地为氢或较低的烷基，或一起形成一个键；R5为氢、未修饰或修饰的低烷基、未修饰或修饰的苯基、卤素、亚胺、甲基或羟基团、或者按功能修饰的羧酸根及其盐。这些衍生物具有抑制5$g(a)-还原酶的作用，并可用于治疗人类和动物的疾病。
• US8415272B2
  申请人：——

  公开号：US8415272B2

  公开（公告）日：2013-04-09
• Platin(0)‐Komplexe mit amino‐substituierten Alkinen: Neue Metallorganische Bausteine für supramolekulare Architekturen und „Kristall‐Engineering”︁
  作者：Dirk Walther、Kirstin Heubach、Lars Böttcher、Heike Schreer、Helmar Görls

  DOI：10.1002/1521-3749(200201)628:1<20::aid-zaac20>3.0.co;2-#

  日期：2002.1

  Homoleptic Bis(alkyne)platinum(0) compounds containing either NH2- or NH2-/OH-substituents are formed by reaction of Pt(cod)(2) with alkynes as stable compounds. They can be used as variable building blocks for supramolecular networks. The crystal structure analyses of Bis(2-amino-2,5-dimethyl-5-hydroxy-hex-3-yne)platinum(0) (1) and of Bis(l(3-amino-3-methyl-but-l-inyl)-cyclohexane-l-ol)platinum(0) (2) exhibit that the low-valent Pt atom is tetrahedrally surrounded by the four sp-hybridizated carbonatoms of the alkynes. Despite the fact that the bond lengths and -angles of the PtC4 units are equal, the supramolecular structures are different. While in 1 polymer strands are formed in which the bis(alkyne)-Pt-0 units are connected by (OH)(2)(NH2)(2)- tetrahedrons, 2 yields only a dimer containing a network of four OH- and two NH2-groups. Platinum(0) complexes with cationic alkynes bearing ammonium substituents can be isolated as thermal stable compounds. The X-ray structures of [C(FH+)Pt(cod)](4) (8) reveals that four molecular units form a cube with both four NH3+ groups and Cl- at the corners connected by hydrogen bridges. In the bis(alkyne)Pt-0 complex [Cl-1.5(FH+)(1.5)(F)(0.5)Pt] (9) only 1.33 of two NH2 groups are protonated and a hydrogen bridged network connects four bis(alkyne)Pt-0 units (cod: cycloocta-1.5-diene, F: 1-(trimethylsilylethinyl)-1-amino-cyclohexane).
• Acetylenic 1,4-Aminoalcohols¹
  作者：G. F. HENNION、JAMES M. CAMPBELL

  DOI：10.1021/jo01113a017

  日期：1956.7