6,6-dimethyl-1,3-oxazinan-2-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: 6,6-dimethyl-1,3-oxazinan-2-one
• 化学式: C₆H₁₁NO₂
• mdl: MFCD19225531
• 分子量: 129.159
• InChiKey: OIHVPJNMIRGQSV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.833
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  6,6-dimethyl-1,3-oxazinan-2-one 在 水 、 caesium carbonate 、 sodium hydroxide 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 5.0h， 生成 2-methyl-4-[(2-nitrophenyl)amino]-2-butanol
  参考文献：
  名称：

  헤테로환 화합물 및 이를 포함하는 유기 발광 소자

  摘要：

  本规范提供了有关杂环化合物及其用途的有机发光器件。

  公开号：

  KR20150037711A
• 作为产物：
  描述：

  4-氨基-2-甲基-2-丁醇 在 ammonium cerium (IV) nitrate 、 sodium hydride 、 溶剂黄146 作用下， 以 甲醇 、 水 、 甲苯 、 乙腈 为溶剂， 反应 27.67h， 生成 6,6-dimethyl-1,3-oxazinan-2-one
  参考文献：
  名称：

  JP2015/13809

  摘要：

  公开号：

文献信息

• Arylethynyl derivatives
  申请人：Green Luke

  公开号：US20110251169A1

  公开（公告）日：2011-10-13

  The present invention relates to ethynyl compounds of formula I wherein R1, R2, R2′, R3, R3′, R4, R4′, U, V, W, Y, m, and n are as defined herein and to a pharmaceutically acceptable acid addition salts, to a racemic mixtures, or to its corresponding enantiomers and/or optical isomers and/or stereoisomers thereof. Compounds of formula I are allosteric modulators of the metabotropic glutamate receptor subtype 5 (mGluR5).

  本发明涉及式I的乙炔基化合物，其中R1、R2、R2′、R3、R3′、R4、R4′、U、V、W、Y、m和n如本文所述，以及药用可接受的酸加成盐，或其对映体和/或光学异构体和/或立体异构体的相应外消旋混合物。式I的化合物是代谢型谷氨酸受体5亚型（mGluR5）的变构调节剂。
• [EN] ARYLETHYNYL DERIVATIVES<br/>[FR] DÉRIVÉS D'ARYLÉTHYNYLE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2011128279A1

  公开（公告）日：2011-10-20

  The present invention relates to ethynyl derivatives of formula (I) as allosteric modulators of the metabotropic glutamate receptor subtype 5 (mGluR5). The variables in formula (I) are defined in the specification.

  本发明涉及式(I)的乙炔衍生物，作为代谢型谷氨酸受体亚型5（mGluR5）的别构调节剂。式(I)中的变量在说明书中有定义。
• [EN] PYRIDINE CARBAMATES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS<br/>[FR] CARBAMATES DE PYRIDINE ET LEUR UTILISATION EN TANT QUE MODULATEURS DU RÉCEPTEUR GLUN2B
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2020249799A1

  公开（公告）日：2020-12-17

  Pyridine carbamates, pharmaceutical compositions containing pyridine carbamates, and uses of the pyridine carbamates and pharmaceutical compositions for modulating GluN2B receptors and for treating diseases, disorders, and medical conditions mediated by GluN2B receptor activity.

  吡啶氨酸酯，含有吡啶氨酸酯的药物组合物，以及利用吡啶氨酸酯和含有吡啶氨酸酯的药物组合物调节GluN2B受体，并用于治疗由GluN2B受体活性介导的疾病、紊乱和医疗状况。
• ETHYNYL DERIVATIVES
  申请人：Hoffmann-La Roche Inc.

  公开号：US20130090332A1

  公开（公告）日：2013-04-11

  The present invention relates to ethynyl derivatives of formula I wherein U, V, Y, R 1 , R 2 , R 2′ , R 3 , R 3′ and R 8 are described herein. It has been found that the compounds of general formula I are allosteric modulators of the metabotropic glutamate receptor subtype 5 (mGluR5).

  本发明涉及公式I的乙炔衍生物，其中U、V、Y、R1、R2、R2'、R3、R3'和R8如本文所述。已发现通式I的化合物是代谢型谷氨酸受体亚型5（mGluR5）的变构调节剂。
• [EN] ETHYNYL DERIVATIVES AS MGLUR5 ALLOSTERIC MODULATORS<br/>[FR] DÉRIVÉS D'ÉTHYNYLE COMME MODULATEURS ALLOSTÉRIQUES DE MGLUR5
  申请人：HOFFMANN LA ROCHE

  公开号：WO2013050454A1

  公开（公告）日：2013-04-11

  The present invention relates to ethynyl derivatives of formula (I) wherein U is N or CH, R8 is hydrogen, halogen, lower alkyl or lower alkoxy;Y is –N(R4)-, -O- or –C(R5R5')-; wherein R4 is hydrogen or lower alkyl and R5/R5' are independently hydrogen, hydroxy, lower alkyl or lower alkoxy; V is –N(R6)- or –C(R7R7'), wherein R6 is hydrogen or lower alkyl and R7/R7' are independently from each other hydrogen, lower alkyl, CH2-lower alkoxy or may form together with the carbon atom to which they are attached a C3-C6-cycloalkyl; R1 is phenyl or heteroaryl, which are optionally substituted by halogen, lower alkyl or lower alkoxy; m is 0 or 1; in case m is 1, R3/R3' are independently from each other hydrogen, lower alkyl, CH2-lower alkoxy or may form together with the carbon atom to which they are attached a C3-C6-cycloalkyl; n is 0 or 1; in case n is 1, R2/R2' are independently from each other hydrogen, lower alkyl, CH2-lower alkoxy or may form together with the carbon atom to which they are attached a C3-C6-cycloalkyl; or if m is 1 and n is 0, R3 and R7 may form together with the carbon atoms to which they are attached a C4-6-cycloalkyl; or if m is 1 and n is 1, R2 and R3 or R3 and R7 may form together with the carbon atoms to which they are attached a C4-6-cycloalkyl; or to a pharmaceutically acceptable acid addition salt, to a racemic mixture, or to its corresponding enantiomer and/or optical isomer and/or stereoisomer thereof. It has been found that the compounds of general formula (I) are allosteric modulators of the metabotropic glutamate receptor subtype 5 (mGluR5).

  本发明涉及公式（I）的乙炔衍生物，其中U为N或CH，R8为氢、卤素、低烷基或低烷氧基；Y为-N(R4)-、-O-或-C(R5R5')-；其中R4为氢或低烷基，R5/R5'分别独立地为氢、羟基、低烷基或低烷氧基；V为-N(R6)-或-C(R7R7')，其中R6为氢或低烷基，R7/R7'独立地为氢、低烷基、CH2-低烷氧基或可能与其附着的碳原子一起形成C3-C6环烷基；R1为苯或杂环烷基，可以选择性地被卤素、低烷基或低烷氧基取代；m为0或1；如果m为1，则R3/R3'独立地为氢、低烷基、 -低烷氧基或可能与其附着的碳原子一起形成C3-C6环烷基；n为0或1；如果n为1，则R2/R2'独立地为氢、低烷基、 -低烷氧基或可能与其附着的碳原子一起形成C3-C6环烷基；或者如果m为1且n为0，R3和R7可以与其附着的碳原子一起形成C4-6环烷基；或者如果m为1且n为1，R2和R3或R3和R7可以与其附着的碳原子一起形成C4-6环烷基；或者是其对应的药用酸盐、消旋混合物，或其相应的对映体和/或光学异构体和/或立体异构体。已经发现，一般式（I）的化合物是代谢型谷氨酸受体亚型5（mGluR5）的别构调节剂。