3,3-dimethyl-1,2,3,4-tetrahydroquinoxaline | 32997-67-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 3,3-dimethyl-1,2,3,4-tetrahydroquinoxaline
• 英文别名: 2,2-dimethyl-1,2,3,4-tetrahydroquinoxaline；3,3-dimethyl-2,4-dihydro-1H-quinoxaline
• CAS: 32997-67-4
• 化学式: C₁₀H₁₄N₂
• mdl: MFCD19248296
• 分子量: 162.235
• InChiKey: MESWFJSLPLHJQL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  24.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3,3-dimethyl-1,2,3,4-tetrahydroquinoxaline 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 4-(3-chlorobenzyl)-3,3-dimethyl-1,2,3,4-tetrahydroquinoxaline-1-carboxamide
  参考文献：
  名称：

  The discovery of 3,3-dimethyl-1,2,3,4-tetrahydroquinoxaline-1-carboxamides as AMPD2 inhibitors with a novel mechanism of action

  摘要：

  DOI：

  10.1016/j.bmcl.2022.129110
• 作为产物：
  描述：

  3,4-二氢-3,3-二甲基-(9ci)-2(1h)-喹噁啉酮 在 硼烷四氢呋喃络合物 、 盐酸 作用下， 反应 4.0h， 以650 mg的产率得到3,3-dimethyl-1,2,3,4-tetrahydroquinoxaline
  参考文献：
  名称：

  [EN] SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS
  [FR] CARBOXAMIDES N-HÉTÉROCYCLIQUES SUBSTITUÉS, SATURÉS ET INSATURÉS ET COMPOSÉS APPARENTÉS POUR LEUR UTILISATION DANS LE TRAITEMENT DE TROUBLES MÉDICAUX

  摘要：

  这项发明提供了替代的、饱和的和不饱和的N-杂环羧酰胺及相关化合物，含有这些化合物的组合物，医疗工具包，以及使用这些化合物和组合物治疗患者的医疗疾病，例如癌症、溶酶体贮积疾病、神经退行性疾病、炎症性疾病等的方法。

  公开号：

  WO2021055630A1

文献信息

• Preparation of substituted 1,2,3,4-tetrahydroquinoxalines and 2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepines from catalytic Cp∗Ir hydrogen transfer N-heterocyclization of anilino alcohols
  作者：C. Todd Eary、Dane Clausen

  DOI：10.1016/j.tetlet.2006.07.033

  日期：2006.9

  The [Cp*IrCl2](2)/K2CO3 catalyzed hydrogen transfer N-heterocyclization on a series of anilino alcohols has been investigated. The catalyst (20% loading) converts anilino alcohols to 1,2,3,4-tetrahydroquinoxalines and 2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepines in 30-84% isolated yield. (c) 2006 Published by Elsevier Ltd.
• UV-light stabilized compositions containing substituted 2-keto-1,4-diazacycloalkanes
  申请人：The B.F. GOODRICH Company

  公开号：EP0001284B1

  公开（公告）日：1984-05-23
• Synthesis of 2-keto-1,4-diazacycloalkanes
  申请人：The B.F. GOODRICH Company

  公开号：EP0001559B1

  公开（公告）日：1982-01-13
• 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：US20170224713A1

  公开（公告）日：2017-08-10

  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).
• SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS
  申请人：Bial - R&D Investments, S.A.

  公开号：US20220380314A1

  公开（公告）日：2022-12-01

  The invention provides substituted, saturated and unsaturated N-heterocyclic carboxamides and related compounds, compositions containing such compounds, medical kits, and methods for using such compounds and compositions to treat medical disorders, e.g., cancer, lysosomal storage disorder, neurodegenerative disorder, inflammatory disorder, in a patient.