6-溴-4,4-二甲基-1H-苯并[d][1,3]噁嗪-2(4h)-硫酮 | 304853-34-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 中文名称: 6-溴-4,4-二甲基-1H-苯并[d][1,3]噁嗪-2(4h)-硫酮
• 英文名称: 6-Bromo-4,4-dimethyl-1,4-dihydro-benzo[d][1,3]oxazin-2-thione
• 英文别名: 6-bromo-4,4-dimethyl-2-thioxo-1,4-dihydro-benzoxazine；6-Bromo-1,4-dihydro-4,4-dimethyl-1,3-benzo[d]oxazin-2-thione；6-Bromo-4,4-dimethyl-1H-benzo[D][1,3]oxazine-2(4H)-thione；6-bromo-4,4-dimethyl-1H-3,1-benzoxazine-2-thione
• CAS: 304853-34-7
• 化学式: C₁₀H₁₀BrNOS
• 分子量: 272.165
• InChiKey: PJJIGEUPSHUTDW-UHFFFAOYSA-N

物化性质

• 沸点：
  306.0±52.0 °C(Predicted)
• 密度：
  1.60±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  53.4
• 氢给体数：
  1
• 氢受体数：
  2

上下游信息

• 上游原料

  中文名称	英文名称	CAS号	化学式	分子量
  溴伏克辛	brofoxine	21440-97-1	C10H10BrNO2	256.099
  2-(2-氨基-5-溴苯基)-2-丙醇	2-(2-amino-5-bromophenyl)-propan-2-ol	304853-89-2	C9H12BrNO	230.104

反应信息

• 作为产物：
  描述：

  劳森试剂 、 溴伏克辛 生成 6-溴-4,4-二甲基-1H-苯并[d][1,3]噁嗪-2(4h)-硫酮
  参考文献：
  名称：

  Cyclothiocarbamate derivatives as progesterone receptor modulators

  摘要：

  本方法提供了使用具有孕激素受体激动剂作用的化合物进行避孕和单独或与雌激素受体激动剂或孕激素受体拮抗剂联合治疗孕激素相关疾病的方法。这些化合物具有以下结构： 其中，R1、R2、R3、R4、R5和Q1在此定义。

  公开号：

  US20060142280A1

文献信息

• Cyanopyrrole-containing cyclic carbamate and thiocarbamate biaryls and methods for preparing the same
  申请人：Wilk Kazimierz Bogdan

  公开号：US20050239779A1

  公开（公告）日：2005-10-27

  Methods for preparing cyclic carbamates and thiocarbamates containing cyanopyrrole moieties and of the formula are provided. Z are the same or different and are H, optionally substituted C 1 to C 6 alkyl, or COR A ; R A is H, optionally substituted C 1 to C 6 alkyl, optionally substituted C 1 to C 6 alkoxy, or optionally substituted C 1 to C 6 aminoalkyl; Q are the same or different and are H, OH, NH 2 , CN, halogen, optionally substituted C 1 to C 6 alkyl, optionally substituted C 2 to C 6 alkenyl, optionally substituted C 1 to C 6 alkynyl, optionally substituted C 1 to C 6 alkoxy, optionally substituted C 1 to C 6 aminoalkyl, or COR B ; and R B is H, optionally substituted C 1 to C 6 alkyl, optionally substituted C 1 to C 6 alkoxy, or optionally substituted C 1 to C 6 aminoalkyl. Compounds including 2-amino-5-(5-cyano-1-methyl-1H-pyrrol-2-yl) benzoic acid methyl ester, 5-[4-amino-3-(1-hydroxy-1-methyl-ethyl)-phenyl]-1-methyl-1H-pyrrole-2-carbonitrile, and 2-amino-5-(5-cyano-1-methyl-1H-pyrrol-2-yl)-phenyl-ethanone, or pharmaceutically acceptable salts thereof, and the uses thereof are also provided.

  提供了制备含有氰基吡咯基团的环状碳酸酯和硫代碳酸酯的方法，其化学式如下：Z相同或不同，可以是氢、可选取代的C1到C6烷基或COR A；RA可以是氢、可选取代的C1到C6烷基、可选取代的C1到C6烷氧基或可选取代的C1到C6氨基烷基；Q相同或不同，可以是氢、羟基、氨基、氰基、卤素、可选取代的C1到C6烷基、可选取代的C2到C6烯基、可选取代的C1到C6炔基、可选取代的C1到C6烷氧基、可选取代的C1到C6氨基烷基或COR B；RB可以是氢、可选取代的C1到C6烷基、可选取代的C1到C6烷氧基或可选取代的C1到C6氨基烷基。还提供了包括2-氨基-5-(5-氰基-1-甲基-1H-吡咯-2-基)苯甲酸甲酯、5-[4-氨基-3-(1-羟基-1-甲基-乙基)-苯基]-1-甲基-1H-吡咯-2-碳氰、以及2-氨基-5-(5-氰基-1-甲基-1H-吡咯-2-基)-苯乙酮或其药学上可接受的盐，以及其用途。
• [EN] CYCLOTHIOCARBAMATE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS<br/>[FR] DERIVES DE CYCLOTHIOCARBAMATE TENANT LIEU DE MODULATEURS DU RECEPTEUR DE PROGESTERONE
  申请人：AMERICAN HOME PROD

  公开号：WO2000066570A1

  公开（公告）日：2000-11-09

  The present invention provides compounds which are agonists of the progesterone receptor and have structures (I) or (II) wherein R1 and R2 are independent substituents selected from the group of H, optionally substituted C1 to C6 alkyl, alkenyl, alkynyl, or alkynyl groups C3 to C8 cycloalkyl, aryl, substituted aryl, or heterocyclic groups, or COR?A or NRBCORA; or R1 and R2¿ are fused to form an optionally substituted 3 to 8 membered Spiro cyclic alkyl or alkenyl ring or a Spiro cyclic ring containing one to three heteroatoms selected from O, S and N; RA is selected from H, amino, or optionally substituted C¿1? to C3 alkyl, aryl, C1 to C3 alkoxy, or C1 to C3 aminoalkyl groups; R?B¿ is H, C¿1? to C3 alkyl, or substituted C1 to C3 alkyl; R?3¿ is H, OH, NH¿2 COR?C, or optionally substituted C¿1? to C6 alkyl, C3 to C6 alkenyl, or alkynyl groups; R?C¿ is selected from H or optionally substituted C¿1? to C3 alkyl, aryl, C1 to C3 alkoxy, or C1 to C3 aminoalkyl groups; Q?1¿ is S, NR?7; or CR8R9, R5¿ is an optionally trisubstituted benzene ring or an optionally substituted five or six membered heterocyclic ring with 1, 2, or 3 ring heteroatoms selected from the group of O, S, SO, SO¿2? or NR?6¿; or a pharmaceutically acceptable salt thereof, as well as methods of using these compounds for contraception and the treatment of progesterone-related maladies.

  本发明提供了具有结构（I）或（II）的孕激素受体激动剂化合物，其中R1和R2是独立的取代基，选自H，可选取代的C1至C6烷基，烯基，炔基或C3至C8环烷基，芳基，取代芳基或杂环基，或COR？A或NRBCORA; 或R1和R2¿融合形成可选取代的3至8环螺环烷基或烯基环或含有1至3个杂原子（选自O，S和N）的螺环状环；RA选自H，氨基或可选取代的C¿1？至C3烷基，芳基，C1至C3烷氧基或C1至C3氨基烷基基团；R?B¿选自H，C¿1？至C3烷基或取代的C1至C3烷基；R?3¿选自H，OH，NH¿2 COR?C，或可选取代的C¿1？至C6烷基，C3至C6烯基或炔基基团；R?C¿选自H或可选取代的C¿1？至C3烷基，芳基，C1至C3烷氧基或C1至C3氨基烷基基团；Q?1¿选自S，NR?7; 或CR8R9，R5¿为可选的三取代苯环或带有1、2或3个选自O，S，SO，SO¿2？或NR?6¿的杂环的可选取代的五元或六元环；或其药学上可接受的盐，以及使用这些化合物进行避孕和治疗孕激素相关疾病的方法。
• CYCLOTHIOCARBAMATE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS
  申请人：Zhang Puwen

  公开号：US20090281096A1

  公开（公告）日：2009-11-12

  Methods of using compounds which are progesterone receptor agonists for contraception and the treatment of progesterone-related maladies alone or in combination with an estrogen receptor agonist or progesterone receptor antagonist are provided. These compounds have the structure: wherein R 1 , R 2 , R 3 , R 4 , R 5 , and Q 1 are defined herein.

  本发明提供了使用化合物作为孕激素受体激动剂进行避孕和治疗孕激素相关疾病的方法，这些化合物可以单独使用或与雌激素受体激动剂或孕激素受体拮抗剂联合使用。这些化合物具有以下结构：其中R1，R2，R3，R4，R5和Q1如本文所定义。
• Cyclothiocarbamate Derivatives as Progesterone Receptor Modulators
  申请人：Wyeth LLC

  公开号：US20130261112A1

  公开（公告）日：2013-10-03

  Methods of using compounds which are progesterone receptor agonists for contraception and the treatment of progesterone-related maladies alone or in combination with an estrogen receptor agonist or progesterone receptor antagonist are provided. These compounds have the structure: wherein R 1 , R 2 , R 3 , R 4 , R 5 , and Q 1 are defined herein.

  本发明提供了使用具有孕激素受体激动剂作用的化合物进行避孕和治疗孕激素相关疾病的方法，该方法可以单独或与雌激素受体激动剂或孕激素受体拮抗剂结合使用。这些化合物的结构如下：其中R1、R2、R3、R4、R5和Q1在此定义。
• JP2002543192A
  申请人：——

  公开号：JP2002543192A

  公开（公告）日：2002-12-17