1,4,4-trimethyl-1,4-dihydro-2H-3,1-benzoxazin-2-one | 21441-03-2

• 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: 1,4,4-trimethyl-1,4-dihydro-2H-3,1-benzoxazin-2-one
• 英文别名: 1,4,4-Trimethyl-2H-<3,1>benzoxazin-2-one；1,4,4-trimethyl-1,4-dihydro-benzo[d][1,3]oxazin-2-one；4H-3,1-Benzoxazin-2-one, 1,2-dihydro-1,4,4-trimethyl-；1,4,4-trimethyl-3,1-benzoxazin-2-one
• CAS: 21441-03-2
• 化学式: C₁₁H₁₃NO₂
• 分子量: 191.23
• InChiKey: UKMXBWOKYGDZQA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 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：

  4-iodomethyl-1,4-dimethyl-1,4-dihydro-2H-3,1-benzoxazin-2-one 在 三正丁基氢锡 作用下， 以 苯 为溶剂， 以71%的产率得到1,4,4-trimethyl-1,4-dihydro-2H-3,1-benzoxazin-2-one
  参考文献：
  名称：

  Convenient Synthesis of 1,4-Dihydro-2H-3,1-benzoxazin-2-ones by Iodocyclization of t-Butyl 2-Vinylphenylcarbamate

  摘要：

  It has been found that t-butyl 2-vinylphenylcarbamate derivatives underwent iodocyclization on treatment with iodine in the presence of sodium hydrogencarbonate to afford 4-iodomethyl-1,4-dihydro-2H-3,1-benzoxazin-2-one derivatives in generally good yields. The reduction of these 4-iodomethyl derivatives with tributyltin hydride gave the corresponding 4-methyl derivatives in good yields.

  DOI：

  10.3987/com-07-11186

文献信息

• 6-Amino-1,4-dihydro-benzo[d][1,3] oxazin-2-ones and analogs useful as progesterone receptor modulators
  申请人：Zhang Puwen

  公开号：US20050085470A1

  公开（公告）日：2005-04-21

  Compounds having the structure of formula I are provided. In formula I, R 1 is H, OH, substituted or unsubstituted C 1 to C 3 alkyl, C 1 to C 3 perfluoroalkyl, or COR 6 ; R 6 is H, substituted or unsubstituted C 1 to C 4 alkyl, aryl, substituted or unsubstituted C 1 to C 4 alkoxy, substituted or unsubstituted C 1 to C 3 aminoalkyl; R 2 and R 3 are H, substituted or unsubstituted C 1 to C 6 alkyl, C 1 to C 6 perfluoroalkyl, substituted or unsubstituted C 2 to C 6 alkenyl, substituted or unsubstituted C 2 to C 6 alkynyl, substituted or unsubstituted C 3 to C 6 cycloalkyl, substituted or unsubstituted aryl, or substituted or unsubstituted heterocyclic; or R 2 and R 3 are fused to form spirocyclic rings; R 4 is NHR 7 , OR 7 , NHSO 2 R 7 , or OSO 2 R 7 ; Q is O, S, NR 8 , or CR 9 R 10 ; or a pharmaceutically acceptable salt, ester, or prodrug thereof. Such compounds are useful as progesterone receptor modulators and for treating progesterone receptor related conditions.

  提供具有公式I结构的化合物。在公式I中，R1为H，OH，取代或未取代的C1至C3烷基，C1至C3全氟烷基，或COR6；R6为H，取代或未取代的C1至C4烷基，芳基，取代或未取代的C1至C4甲氧基，取代或未取代的C1至C3氨基烷基；R2和R3为H，取代或未取代的C1至C6烷基，C1至C6全氟烷基，取代或未取代的C2至C6烯基，取代或未取代的C2至C6炔基，取代或未取代的C3至C6环烷基，取代或未取代的芳基，或取代或未取代的杂环；或者R2和R3融合形成螺环；R4为NHR7，OR7，NHSO2R7，或OSO2R7；Q为O，S，NR8，或CR9R10；或其药用可接受的盐，酯或前药。这些化合物可用作孕激素受体调节剂，并用于治疗与孕激素受体相关的疾病。
• Lateral lithiation of N,N′-diaryl ureas
  作者：Jonathan Clayden、Jérémy Dufour

  DOI：10.1016/j.tetlet.2006.07.134

  日期：2006.9

  sec-butyllithium. Quenching with a range of electrophiles yields functionalised aryl ureas in excellent yield. Lateral lithiation is favoured when the urea nitrogen adjacent to the aromatic ring in question is alkylated, and when competitive lithiations of such a ring are possible, lateral lithiation is more favourable than the alternative ortholithiation.

  带有N-（2-烷基芳基）基团的芳族脲可通过用仲丁基锂处理而横向锂化。用一系列亲电试剂猝灭可以以优异的产率产生官能化的芳基脲。当与所讨论的芳族环相邻的尿素氮被烷基化时，侧向锂化是有利的，并且当这种环的竞争性锂化是可能的时，侧向锂化比替代的原位锂化更有利。
• 6-Amino-1,4-dihydro-benzo[d][1,3]oxazin-2-ones and analogs useful as progesterone receptor modulators
  申请人：Zhang Puwen

  公开号：US20070225281A1

  公开（公告）日：2007-09-27

  Compounds having the structure of formula I are provided. In formula I, R 1 is H, OH, substituted or unsubstituted C 1 to C 3 alkyl, C 1 to C 3 perfluoroalkyl, or COR 6 ; R 6 is H, substituted or unsubstituted C 1 to C 4 alkyl, aryl, substituted or unsubstituted C 1 to C 4 alkoxy, substituted or unsubstituted C 1 to C 3 aminoalkyl; R 2 and R 3 are H, substituted or unsubstituted C 1 to C 6 alkyl, C 1 to C 6 perfluoroalkyl, substituted or unsubstituted C 2 to C 6 alkenyl, substituted or unsubstituted C 2 to C 6 alkynyl, substituted or unsubstituted C 3 to C 6 cycloalkyl, substituted or unsubstituted aryl, or substituted or unsubstituted heterocyclic; or R 2 and R 3 are fused to form spirocyclic rings; R 4 is NHR 7 , OR 7 , NHSO 2 R 7 , or OSO 2 R 7 ; Q is O, S, NR 8 , or CR 9 R 10 ; or a pharmaceutically acceptable salt, ester, or prodrug thereof. Such compounds are useful as progesterone receptor modulators and for treating progesterone receptor related conditions.

  提供了具有式I结构的化合物。在式I中，R1是H、OH、取代或未取代的C1到C3烷基、C1到C3全氟烷基或COR6；R6是H、取代或未取代的C1到C4烷基、芳基、取代或未取代的C1到C4甲氧基、取代或未取代的C1到C3氨基烷基；R2和R3是H、取代或未取代的C1到C6烷基、C1到C6全氟烷基、取代或未取代的C2到C6烯基、取代或未取代的C2到C6炔基、取代或未取代的C3到C6环烷基、取代或未取代的芳基或取代或未取代的杂环基；或R2和R3融合形成螺环；R4是NHR7、OR7、NHSO2R7或OSO2R7；Q是O、S、NR8或CR9R10；或其药学上可接受的盐、酯或前药。这些化合物可用作孕激素受体调节剂，并用于治疗孕激素受体相关疾病。
• US7247625B2
  申请人：——

  公开号：US7247625B2

  公开（公告）日：2007-07-24
• US7354915B2
  申请人：——

  公开号：US7354915B2

  公开（公告）日：2008-04-08