1-ethyl-1H-benzo[d][1,3]oxazin-2(4H)-one | 13213-89-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: 1-ethyl-1H-benzo[d][1,3]oxazin-2(4H)-one
• 英文别名: 1-Aethyl-4H-<3.1>benzoxazin-2-(1H)-on；1-ethyl-1,4-dihydro-benzo[d][1,3]oxazin-2-one；1-ethyl-4H-3,1-benzoxazin-2-one
• CAS: 13213-89-3
• 化学式: C₁₀H₁₁NO₂
• 分子量: 177.203
• InChiKey: QAETZTSZZCFSBB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  邻氨基苯甲醇 在 2,6-二甲基吡啶 、 lithium aluminium tetrahydride 、 tris(2,2'-bipyridyl)ruthenium dichloride 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 、 乙腈 为溶剂， 反应 4.0h， 生成 1-ethyl-1H-benzo[d][1,3]oxazin-2(4H)-one
  参考文献：
  名称：

  Sunlight-Driven Forging of Amide/Ester Bonds from Three Independent Components: An Approach to Carbamates

  摘要：

  A photoredox catalytic route to carbamates enabled by visible irradiation (or simply sunlight) has been developed. This process leads to a novel approach to the construction of heterocyclic rings wherein the amide or ester motifs of carbamates were assembled from three isolated components. Large-scale experiments were realized by employing continuous flow techniques, and reuse of photocatalyst demonstrated the green and sustainable aspects of this method.

  DOI：

  10.1021/acs.orglett.6b02811

文献信息

• Testa; Fontanella, Farmaco, Edizione Scientifica, 1966, vol. 21, # 8, p. 549 - 557
  作者：Testa、Fontanella

  DOI：——

  日期：——
• [EN] SUBSTITUTED CYCLOHEXYL DERIVATIVES AS NK-3 RECEPTOR ANTAGONISTS<br/>[FR] DÉRIVÉS DE CYCLOHEXYLE SUBSTITUÉ COMME ANTAGONISTES DES RÉCEPTEURS NK-3
  申请人：MERCK SHARP & DOHME

  公开号：WO2007003965A1

  公开（公告）日：2007-01-11

  [EN] The present invention relates to the compounds of formula (I): wherein A,B, n, X, Y, Z, R¹, R², R³, R⁴, R⁵, R⁶, R⁷ and R⁸ are defined herein, and pharmaceutically acceptable salts thereof, pharmaceutical compositions comprising them and their use in treating diseases mediated by neurokinin-3 (NK-3) receptors. These compounds can thus be used in methods of treatment to suppress and treat such disorders.
  [FR] La présente invention concerne des composés de la formule (I) : (A J- S(O)n-X^ V- Z-N (I) R2 où A5B, n, X, Y, Z, R1, R2, R3, R4, R5, R6, R7 et R8 sont définis ici, et des sels pharmaceutiquement acceptables de ceux-ci, des compositions pharmaceutiques les comprenant et leur utilisation dans le traitement de maladies à médiation par des récepteurs de la neurokinine 3 (NK-3). Ces composés peuvent alors être utilisés dans des procédés de traitement pour supprimer et traiter de tels troubles.
• Sunlight-Driven Forging of Amide/Ester Bonds from Three Independent Components: An Approach to Carbamates
  作者：Yating Zhao、Binbin Huang、Chao Yang、Qingqing Chen、Wujiong Xia

  DOI：10.1021/acs.orglett.6b02811

  日期：2016.11.4

  A photoredox catalytic route to carbamates enabled by visible irradiation (or simply sunlight) has been developed. This process leads to a novel approach to the construction of heterocyclic rings wherein the amide or ester motifs of carbamates were assembled from three isolated components. Large-scale experiments were realized by employing continuous flow techniques, and reuse of photocatalyst demonstrated the green and sustainable aspects of this method.