2-(乙胺基)-2-甲基-1-丙醇 | 82922-13-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 2-(乙胺基)-2-甲基-1-丙醇
• 英文名称: 2-(ethylamino)-2-methylpropanol
• 英文别名: 2-(Ethylamino)-2-methylpropan-1-ol
• CAS: 82922-13-2
• 化学式: C₆H₁₅NO
• mdl: MFCD11053962
• 分子量: 117.191
• InChiKey: CPEPOQRXWWGDCU-UHFFFAOYSA-N

物化性质

• 熔点：
  75.5-76.5 °C
• 沸点：
  162-163 °C
• 密度：
  0.874±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  8
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  32.3
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2922199090

反应信息

• 作为反应物：
  描述：

  2-(乙胺基)-2-甲基-1-丙醇 175.0 ℃ 、101.32 kPa 条件下， 以80%的产率得到5,5-dimethyl-4-ethyl-2-oxomorpholine
  参考文献：
  名称：

  N-Alkyl-5,5-dimethyl-2-oxomorpholin-3-yl radicals. Characterization and reaction with molecular oxygen

  摘要：

  The synthesis of bi(4,5,5-trimethyl-2-oxomorpholin-3-yl) (TM-3' dimer), bi(5,5-dimethyl-4-ethyl-2-oxomorpholin-3-yl) (DEM-3 dimer), and bi(5,5-dimethyl-4-isopropyl-2-oxomorpholin-3-yl) (DIM-3 dimer) by one-electron oxidation of 4,5,5-trimethyl-2-oxomorpholine (8), 5,5-dimethyl-4-ethyl-2-oxomorpholine (9), and 5,5-dimethyl-4-isopropyl-2-oxomorpholine (10), respectively, with photochemically generated tert-butoxyl radical is described. dl-TM-3' dimer, meso-DEM-3 dimer, and meso-DIM-3 dimer were characterized from spectra and by X-ray crystallography. In solution the radical dimers existed in equilibrium with the captodatively substituted radicals, 4,5,5-trimethyl-2-oxomorpholin-3-yl (TM-3'), 5,5-dimethyl-4-ethyl-2-oxomorpholin-3-yl (DEM-3), and 5,5-dimethyl-4-isopropyl-2-oxomorpholin-3-yl (DIM-3), respectively, as indicated by EPR spectroscopy. The activation parameters for bond homolysis in ethanol solvent were measured by oxidatively trapping the radicals with diphenylpicrylhydrazyl (DPPH). The half-lives for bond homolysis vary by 5 orders of magnitude at 25-degrees-C with a value of only 2.3's for DIM-3 dimer. DIM-3 dimer reacted quantitatively with molecular oxygen to form a mixture of meso- and dl-bis(5,5-dimethyl-4-isopropyl-2-oxomorpholin-3-yl) peroxides (DIM-3 peroxides), which were isolated and characterized spectroscopically and analytically. At ambient temperature the peroxides fragmented by C-O bond homolysis to release the DIM-3 radical as indicated by EPR spectroscopy and were solvolyzed by protic solvent with release of hydrogen peroxide. The solvolysis was reversed by evaporation of the protic solvent, which restored most of the DIM-3 peroxides. The peroxides also slowly fragmented irreversibly to 5,5-dimethyl-3-hydroxy-4-isopropyl-2-oxomorpholine (21) and 5,5-dimethyl-2, 3-dioxo-4-isopropylmorpholine (23) in polar aprotic solvent.

  DOI：

  10.1021/ja00023a040
• 作为产物：
  描述：

  2,4,4-三甲基-2-恶唑 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 生成 2-(乙胺基)-2-甲基-1-丙醇
  参考文献：
  名称：

  Beger,J.; Hoebold,W., Journal fur praktische Chemie (Leipzig 1954), 1969, vol. 311, p. 760 - 768

  摘要：

  DOI：

文献信息

• JAK INHIBITOR
  申请人：Kyowa Hakko Kirin Co., Ltd.

  公开号：EP2108642A1

  公开（公告）日：2009-10-14

  A JAK inhibitor comprising, as an active ingredient, a nitrogen-containing heterocyclic compound represented by formula (I) wherein W represents a nitrogen atom or -CH-; X represents -C (=O) - or -CHR4- (wherein R4 represents a hydrogen atom, or the like); R1 represents the formula described below [wherein Q1 represents-CR8-(wherein R8 represents a hydrogen atom, substituted or unsubstituted lower alkyl, or the like); Q2 represents -NR15- (wherein R15 represents a hydrogen atom, substituted or unsubstituted lower alkyl, or the like); and R5 and R6 may be the same or different and each represents a hydrogen atom, halogen, carboxy, substituted or unsubstituted lower alkyl, or the like], or the like; and R2 and R3 may be the same or different and each represents a hydrogen atom, halogen, substituted or unsubstituted lower alkyl, or the like} or a pharmaceutically acceptable salt thereof.

  一种JAK抑制剂，其作为活性成分的是由式(I)表示的含氮杂环化合物 其中W代表氮原子或-CH-; X代表-C(=O)-或-CHR4-(其中R4代表氢原子或类似物); R1代表下述式[其中Q1代表-CR8-(其中R8代表氢原子、取代或未取代的较低烷基或类似物); Q2代表-NR15-(其中R15代表氢原子、取代或未取代的较低烷基或类似物);而R5和R6可以相同也可以不同，每个代表氢原子、卤素、羧基、取代或未取代的较低烷基或类似物，或类似物;而 R2和R3可以相同也可以不同，每个代表氢原子、卤素、取代或未取代的较低烷基或类似物}或其药学上可接受的盐。
• [EN] POLYCYCLIC TLR7/8 ANTAGONISTS AND USE THEREOF IN THE TREATMENT OF IMMUNE DISORDERS<br/>[FR] ANTAGONISTES DE TLR7/8 POLYCYLIQUES ET LEUR UTILISATION DANS LE TRAITEMENT DE MALADIES IMMUNES
  申请人：MERCK PATENT GMBH

  公开号：WO2017106607A1

  公开（公告）日：2017-06-22

  The present invention relates to compounds of Formula (I) and pharmaceutically acceptable compositions thereof, useful as toll-like receptor 7/8 (TLR7/8) antagonists. In Formula (I), Ring A is aryl or heteroaryl; Ring B is aryl or heteroary; and X is C(R4)2, O, NR4, S, S(R4), or S(R4)2.

  本发明涉及式(I)的化合物及其药学上可接受的组合物，作为Toll样受体7/8（TLR7/8）拮抗剂。在式(I)中，环A是芳基或杂芳基；环B是芳基或杂芳基；X是C(R4)2、O、NR4、S、S(R4)或S(R4)2。
• PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE
  申请人：Castanedo Georgette

  公开号：US20110207713A1

  公开（公告）日：2011-08-25

  Formula I compounds, including stereoisomers, geometric isomers, tautomers, metabolites and pharmaceutically acceptable salts thereof, are useful for inhibiting the delta isoform of PI3K, and for treating disorders mediated by lipid kinases such as inflammation, immunological disorders, and cancer. Methods of using compounds of Formula I for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such disorders in mammalian cells, or associated pathological conditions, are disclosed.

  Formula I 化合物，包括立体异构体、几何异构体、互变异构体、代谢物及其药学上可接受的盐，对抑制 PI3K 的δ异构体以及治疗由脂质激酶介导的疾病，如炎症、免疫性疾病和癌症，具有用途。公开了利用 Formula I 化合物在哺乳动物细胞中进行体外、体内和体内诊断、预防或治疗此类疾病，或相关病理条件的方法。
• Cannabinoid receptor ligands and uses thereof
  申请人：Pfizer Inc.

  公开号：US20040214837A1

  公开（公告）日：2004-10-28

  Compounds of Formula (I) that act as cannabinoid receptor ligands and their uses in the treatment of diseases linked to the mediation of the cannabinoid receptors in animals are described herein. 1

  本文描述了作为大麻素受体配体的化合物（I）及其在治疗与动物体内大麻素受体介导相关疾病中的用途。
• [EN] AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE<br/>[FR] COMPOSÉS CYCLIQUES AROMATIQUES AZOTÉS À 6 CHAÎNONS ET LEUR UTILISATION
  申请人：MITSUBISHI TANABE PHARMA CORP

  公开号：WO2010030027A1

  公开（公告）日：2010-03-18

  The present invention provides aromatic nitrogen-containing 6-membered ring compounds having execellent PDE10 inhibitory activity. The present invention relates to an aromatic nitrogen-containing 6-membered ring compound represented by the following formula [I0] or a pharmaceutically acceptable salt thereof, a method for preparing the same, and use of said compounds for PDE10 inhibitors, and a pharmaceutical composition comprising said compounds as an active ingredient: Formula [I0] wherein: X1, X2 and X3 each independently are N or CH, and at least two of X1, X2 and X3 are N; A is *-CH=CH-, *-C(Alk)=CH-, *-CH2-CH2- or *-O-CH2- (* is a bond with R1); Alk is a lower alkyl group; Ring B is an optionally substituted nitrogen-containing aliphatic heterocyclic group; R1 is an optionally substituted nitrogen-containing heterocyclic group, a nitrogen-containing heterocyclic moiety of which is a moiety selected from the group consisting of quinoxalinyl, quinolyl, isoquinolyl, quinazolinyl, pyrazinyl, pyrimidinyl and a moiety thereof fused with a 5 to 6-membered aliphatic ring thereto; Y0 is a group selected from the group consisting of the following (1) to (5): (1) an optionally substituted phenyl or an optionally substituted aromatic monocyclic 5 to 6-membered heterocyclic group; (2) an optionally substituted aminocarbonyl; (3) an optionally substituted amino lower alkyl; (4) -O-R2 wherein R2 is hydrogen, an optionally substituted lower alkyl, lower cycloalkyl, aliphatic monocyclic 5 to 6-membered heterocyclic group, or Formula [AA]; (5) mono- or di-substituted amino; provided that, when Y0 is mono- or di-substituted amino, the nitrogen-containing heterocyclic moiety of R1 is not quinoxalinyl or quinolyl.

  本发明提供了具有出色的PDE10抑制活性的芳香氮含6元环化合物。本发明涉及以下式[I0]所代表的芳香氮含6元环化合物或其药学上可接受的盐，其制备方法，以及将所述化合物用作PDE10抑制剂，以及包含所述化合物作为活性成分的药物组合物：式[I0]其中：X1、X2和X3各自独立地为N或CH，并且至少两个X1、X2和X3为N；A为*-CH=CH-，*-C(Alk)=CH-，*-CH2-CH2-或*-O-CH2-（*为与R1的键）；Alk为低碳烷基基团；环B为可选择取代的含氮脂肪杂环基团；R1为可选择取代的含氮杂环基团，其中的氮杂环基团为从喹喔啉基，喹啉基，异喹啉基，喹唑啉基，吡嗪基，嘧啶基中选取的基团，或者与其中的5至6元脂环融合的基团；Y0为从以下（1）到（5）组成的基团：（1）可选择取代的苯基或可选择取代的芳香单环5至6元杂环基团；（2）可选择取代的氨基羰基；（3）可选择取代的氨基低碳烷基；（4）-O-R2其中R2为氢，可选择取代的低碳烷基，低环烷基，脂肪单环5至6元杂环基团，或式[AA]；（5）单取代或双取代氨基；但是，当Y0为单取代或双取代氨基时，R1的含氮杂环基团不是喹喔啉基或喹啉基。