(4aR,8aR)-3,3-dimethyloctahydroquinoxalin-2-one | 1365793-58-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (4aR,8aR)-3,3-dimethyloctahydroquinoxalin-2-one
• 英文别名: (4aR,8aR)-3,3-Dimethyloctahydroquinoxalin-2(1H)-one；(4aR,8aR)-3,3-dimethyl-1,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-one
• CAS: 1365793-58-3
• 化学式: C₁₀H₁₈N₂O
• 分子量: 182.266
• InChiKey: WCIJYVHCHODWEJ-HTQZYQBOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  41.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1,2-二氨基环己烷 、 丙酮氰醇 以 水 为溶剂， 生成 (4aR,8aR)-3,3-dimethyloctahydroquinoxalin-2-one 、 cis-3,3-Dimethyldecahydro-2-quinoxalinone
  参考文献：
  名称：

  Hindered Amines¹. 3,3-Dialkyl-1,2,3,4-tetrahydro-2-quinoxalinones andcis- andtrans-3,3-Dialkyldecahydro-2-quinoxalinones

  摘要：

  DOI：

  10.1055/s-1982-29706

文献信息

• [EN] HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE.<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES POUR LE TRAITEMENT OU LA PRÉVENTION DE TROUBLES PROVOQUÉS PAR UNE NEUROTRANSMISSION RÉDUITE DE LA SÉROTONINE, DE LA NORÉPINEPHRINE OU DE LA DOPAMINE
  申请人：OTSUKA PHARMA CO LTD

  公开号：WO2012036253A1

  公开（公告）日：2012-03-22

  A heterocyclic compound represented by the general formula (1) or a salt thereof: wherein m, l, and n respectively represent an integer of 1 or 2; X represents -O- or -CH2-; R1 represents hydrogen, a lower alkyl group, a hydroxy-lower alkyl group, a protecting group, or a tri-lower alkylsilyloxy-lower alkyl group; R2 and R3, which are the same or different, each independently represent hydrogen or a lower alkyl group; or R2 and R3 are bonded to form a cyclo-C3-C8 alkyl group; and R4 represents an aromatic group or a heterocyclic group, wherein the aromatic or heterocyclic group may have one or more arbitrary substituent(s).

  通用式（1）表示的杂环化合物或其盐：其中m、l和n分别表示1或2的整数；X表示-O-或-CH2-；R1表示氢、较低的烷基基团、羟基较低的烷基基团、保护基或三较低烷氧基较低的烷基基团；R2和R3，相同或不同，各自独立地表示氢或较低的烷基基团；或R2和R3结合形成环-C3-C8烷基基团；R4表示芳香基团或杂环基团，其中芳香基团或杂环基团可能具有一个或多个任意取代基。
• Synthesis of 2-keto-1,4-diazacycloalkanes
  申请人：The B. F. Goodrich Company

  公开号：US04711957A1

  公开（公告）日：1987-12-08

  The disclosure deals with novel synthesis involving (a) hydrogenation of a cis-3,3-dialkyl-3,4-dihydroquinoxaline-2-one in the presence of a suitable hydrogenation catalyst, at elevated temperature and pressure, to yield a cis-3,3-dialkyl decahydroquinoxaline-2-one; (b) reaction of trans-1,2-diaminocyclohexane with acetone cyanohydrin in the presence of water to yield trans-3,3-dimethyl-decahydroquinoxaline-2-one; and (c) a reaction of 1,2-diamine with a saturated acyclic or cyclic monoketone or aldehyde and a holoform, in the presence of (i) a phase transfer catalyst (ii) an organic solvent, and (iii) solid or aqueous alkali to yield 2-keto-1,4-diazacycloalkanes. Such compounds exhibit exceptional UV light stabilizing property.

  本公开涉及一种新型合成方法，包括以下步骤：（a）在适当的氢化催化剂存在下，以升高的温度和压力加氢cis-3,3-二烷基-3,4-二氢喹喔啉-2-酮，得到cis-3,3-二烷基-十氢喹喔啉-2-酮；（b）在水存在下，将trans-1,2-环己二胺与丙酮氰醇反应，得到trans-3,3-二甲基-十氢喹喔啉-2-酮；（c）在相转移催化剂（i）、有机溶剂（ii）和固体或水性碱（iii）存在下，将1,2-二胺与饱和的无环或环状单酮或醛和三氯甲烷一起反应，得到2-酮基-1,4-二氮杂环烷。这些化合物表现出非常出色的紫外光稳定性能。
• HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE
  申请人：Ito Nobuaki

  公开号：US20130261081A1

  公开（公告）日：2013-10-03

  A heterocyclic compound represented by the general formula (1) or a salt thereof: wherein m, l, and n respectively represent an integer of 1 or 2; X represents —O— or —CH 2 —; R 1 represents hydrogen, a lower alkyl group, a hydroxy-lower alkyl group, a protecting group, or a tri-lower alkylsilyloxy-lower alkyl group; R 2 and R 3 , which are the same or different, each independently represent hydrogen or a lower alkyl group; or R 2 and R 3 are bonded to form a cyclo-C3-C8 alkyl group; and R 4 represents an aromatic group or a heterocyclic group, wherein the aromatic or heterocyclic group may have one or more arbitrary substituent(s).

  一种由通式（1）表示的杂环化合物或其盐： 其中，m、l和n分别表示1或2的整数；X表示-O-或-CH2-；R1表示氢、低碳基、羟基-低碳基、保护基或三-低硅氧基-低碳基；R2和R3分别独立地表示氢或低碳基；或者R2和R3结合形成环状C3-C8烷基；R4表示芳基或杂环基，其中芳基或杂环基可能具有一个或多个任意取代基。
• HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE
  申请人：OTSUKA PHARMACEUTICAL CO., LTD.

  公开号：US20160058757A1

  公开（公告）日：2016-03-03

  A heterocyclic compound represented by the general formula (1) or a salt thereof: wherein m, I, and n respectively represent an integer of 1 or 2; X represents —O— or —CH 2 —; R 1 represents hydrogen, a lower alkyl group, a hydroxy-lower alkyl group, a protecting group, or a tri-lower alkylsilyloxy-lower alkyl group; R 2 and R 3 , which are the same or different, each independently represent hydrogen or a lower alkyl group; or R 2 and R 3 are bonded to form a cyclo-C3-C8 alkyl group; and R 4 represents an aromatic group or a heterocyclic group, wherein the aromatic or heterocyclic group may have one or more arbitrary substituent(s).

  一种由通式（1）表示的杂环化合物或其盐： 其中，m、I和n分别表示1或2的整数；X表示—O—或—CH2—；R1表示氢、低级烷基、羟基-低级烷基、保护基或三-低级烷基硅氧-低级烷基；R2和R3分别独立地表示氢或低级烷基；或R2和R3结合形成环状C3-C8烷基；且R4表示芳香基或杂环基，其中芳香或杂环基可以具有一个或多个任意取代基。
• Method for treating depression and/or depression status with substituted quinoxaline compounds
  申请人：OTSUKA PHARMACEUTICAL CO., LTD.

  公开号：US10064879B2

  公开（公告）日：2018-09-04

  A heterocyclic compound represented by the general formula (1) or a salt thereof: wherein m, l, and n respectively represent an integer of 1 or 2; X represents —O— or —CH2—; R1 represents hydrogen, a lower alkyl group, a hydroxy-lower alkyl group, a protecting group, or a tri-lower alkylsilyloxy-lower alkyl group; R2 and R3, which are the same or different, each independently represent hydrogen or a lower alkyl group; or R2 and R3 are bonded to form a cyclo-C3-C8 alkyl group; and R4 represents an aromatic group or a heterocyclic group, wherein the aromatic or heterocyclic group may have one or more arbitrary substituent(s).

  由通式（1）代表的杂环化合物或其盐： 其中 m、l 和 n 分别代表 1 或 2 的整数；X 代表 -O- 或 -CH2-； R1 代表氢、低级烷基、羟基-低级烷基、保护基团或三低级烷基硅氧基-低级烷基； R2 和 R3（相同或不同）各自独立地代表氢或低级烷基；或 R2 和 R3 键合形成环-C3-C8 烷基；以及 R4 代表芳香基团或杂环基团，其中 芳香基团或杂环基团可具有一个或多个任意取代基。