4-methyl-6,7-benzo-1-ox-4-azepin-5-one | 708-05-4

• 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: 4-methyl-6,7-benzo-1-ox-4-azepin-5-one
• 英文别名: 4-methyl-3,4-dihydro-2H-benzo[f][1,4]oxazepin-5-one；4-Methyl-5-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin；4-Methyl-2,3-dihydro-4H-1,4-benzoxazepin-5-on；4-Methyl-2,3-dihydro-1,4-benzoxazepin-5-one
• CAS: 708-05-4
• 化学式: C₁₀H₁₁NO₂
• 分子量: 177.203
• InChiKey: YDFNPOQOLKMNAR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-methyl-6,7-benzo-1-ox-4-azepin-5-one 在 吡啶 、 tetraphosphorus decasulfide 作用下， 生成 4-Methyl-3,4-dihydro-2H-benz<1.4>oxazepin-5-thion
  参考文献：
  名称：

  Thyagarajan,G. et al., Indian Journal of Chemistry, 1968, vol. 6, p. 625 - 627

  摘要：

  DOI：
• 作为产物：
  描述：

  N-methyl-N-(2-hydroxyethyl)-2-fluorobenzamide 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 18.0h， 以54%的产率得到4-methyl-6,7-benzo-1-ox-4-azepin-5-one
  参考文献：
  名称：

  Synthesis of chiral dibenzo-1,8-diaza-14-crown-4, dibenzo-1,9-diaza-16-crown-4, and dibenzo-1,10-diaza-18-crown-4 ethers by aromatic nucleophilic substitution. Application to the preparation of bicyclic chiral crown-lithium iodide complexes

  摘要：

  DOI：

  10.1021/jo00242a006

文献信息

• Substituted Hetero-Bicyclic Compounds, Compositions and Medicinal Applications Thereof
  申请人：ADVINUS THERAPEUTICS LIMITED

  公开号：US20150064196A1

  公开（公告）日：2015-03-05

  The present disclosure provides hetero-bicyclic compounds of formula (I), their tautomers, polymorphs, stereoisomers, prodrugs, solvates, hydrates, N-oxides, co-crystals, pharmaceutically acceptable salts, pharmaceutical compositions containing them and methods of treating conditions and diseases that are mediated by Bruton's tyrosine kinase (Btk) activity, The disclosure also relates to the process of preparation of compounds of Formula (I). These compounds are useful in the treatment, prevention, prophylaxis, management, or adjunct treatment of all medical conditions related to inhibition of Bruton's tyrosine kinase (Btk), such as inflammatory and/or autoimmune disorder, cell proliferation, rheumatoid arthritis, psoriasis, psoriatic arthritis, transplant rejection, graft-versus-host disease, multiple sclerosis, inflammatory bowel disease, allergic diseases, asthma, type 1 diabetes, myasthenia gravis, hematopoetic disfunction, B-cell malignancies, systemic lupus, erythematosus or other disorders.

  本公开提供了式(I)的杂环双环化合物，它们的互变异构体、多晶形态、立体异构体、前药、溶剂合物、水合物、N-氧化物、共晶体、药学上可接受的盐、含有它们的药物组合物以及治疗由Bruton's酪氨酸激酶（Btk）活性介导的疾病和病症的方法。该公开还涉及制备式(I)化合物的过程。 这些化合物在治疗、预防、预防、管理或辅助治疗与Bruton's酪氨酸激酶（Btk）抑制相关的所有医学状况方面具有用处，如炎症和/或自身免疫性疾病、细胞增殖、类风湿关节炎、银屑病、银屑病性关节炎、移植排斥、移植物抗宿主病、多发性硬化、炎症性肠病、过敏性疾病、哮喘、1型糖尿病、重症肌无力、造血功能障碍、B细胞恶性肿瘤、系统性红斑狼疮或其他疾病。
• Facile Synthesis of 5- to 7-Membered Benzolactam Compounds via Strongly Facilitated Electrophilic Aromtic Substitution Reaction†
  作者：Tomohiko Ohwada、Hiroaki Kurouchi、Yuko Otani

  DOI：10.3987/com-15-s(t)60

  日期：——

  We employed our system to activate aromatic ring-tethered carbamate compounds with trifluoromethanesulfonic acid to obtain benzolactams with 5- to 7-membered rings, and examined the substrate scope and limitations of this activation method. In 5-membered ring formation, a halogen group on the aromatic ring did not greatly affect the reaction yield, but other electron-donating groups inhibited the cyclization reaction, and various side-reactions occurred. In 7-membered ring formation, eletron-donating groups on aromatic ring promoted the cyclization reaction, but cyclization of electron-deficient aromatic rings did not proceed well. The 6-membered ring formation reaction showed the greatest substrate generality.
• 200. The preparation of some 2,3-dihydro-1,4-benzoxazepin-5(4H)-ones and related compounds
  作者：D. Huckle、I. M. Lockhart、M. Wright

  DOI：10.1039/jr9650001137

  日期：——
• Thyagarajan,G. et al., Indian Journal of Chemistry, 1968, vol. 6, p. 625 - 627
  作者：Thyagarajan,G. et al.

  DOI：——

  日期：——
• US9233983B2
  申请人：——

  公开号：US9233983B2

  公开（公告）日：2016-01-12