8-甲氧基-2,3,4,5-四氢-1H-苯并[b]氮杂卓盐酸盐 | 17422-43-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 中文名称: 8-甲氧基-2,3,4,5-四氢-1H-苯并[b]氮杂卓盐酸盐
• 英文名称: 8-methoxy-2,3,4,5-tetrahydro-1H-benzo[b]azepine
• 英文别名: 8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepine
• CAS: 17422-43-4
• 化学式: C₁₁H₁₅NO
• mdl: MFCD09026502
• 分子量: 177.246
• InChiKey: YOWUBTLYNPKOQO-UHFFFAOYSA-N

物化性质

• 熔点：
  45-47 °C
• 沸点：
  130-134 °C(Press: 5 Torr)
• 密度：
  1.018±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.454
• 拓扑面积：
  21.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933990090
• 危险性防范说明：
  P264,P280,P302+P352,P305+P351+P338,P332+P313,P337+P313,P362
• 危险性描述：
  H315,H319

反应信息

• 作为反应物：
  描述：

  8-甲氧基-2,3,4,5-四氢-1H-苯并[b]氮杂卓盐酸盐 在 palladium on activated charcoal 吡啶 、 chromium(VI) oxide 、 盐酸 、 氢气 、 溶剂黄146 、 亚硝酸异戊酯 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 25.0 ℃ 、310.27 kPa 条件下， 反应 4.0h， 生成 N-[8-methoxy-1-(4-methylphenyl)sulfonyl-5-oxo-3,4-dihydro-2H-1-benzazepin-4-yl]propanamide
  参考文献：
  名称：

  Booker-Milburn, Kevin I.; Dunkin, Ian R.; Kelly, Frances C., Journal of the Chemical Society. Perkin transactions I, 1997, # 21, p. 3261 - 3273

  摘要：

  DOI：
• 作为产物：
  描述：

  (1E)-N-羟基-7-甲氧基-3,4-二氢-1(2H)-萘亚胺 在 dichloroaluminum hydride 作用下， 以 环戊基甲醚 为溶剂， 以78%的产率得到8-甲氧基-2,3,4,5-四氢-1H-苯并[b]氮杂卓盐酸盐
  参考文献：
  名称：

  肟与铝还原剂的扩环反应。

  摘要：

  研究了杂环酮肟和碳环酮肟与几种还原剂如 AlHCl2、AlH3（铝烷）、LiAlH4、LiAlH(OtBu)3 和 (MeOCH2CH2O)2AlH2Na（Red-Al）的扩环反应。在还原剂中，环戊基甲基醚 (CPME) 中的 AlHCl2 (LiAlH4:AlCl3 = 1:3) 已被发现是适合该反应的试剂，并且重排的环状仲胺以良好到极好的收率获得。

  DOI：

  10.3390/molecules17067348

文献信息

• Aryl-and heteroaryl-substituted tetrahydrobenzazepines and use thereof to block reuptake of norepinephrine, dopamine, and serotonin
  申请人：Molino F. Bruce

  公开号：US20070021408A1

  公开（公告）日：2007-01-25

  The compounds of the present invention are represented by the following aryl- and heteroaryl-substituted tetrahydrobenzazepine and dihydrobenzazapine derivatives having formulae I(A-E) and formula (II): where the carbon atom designated * is in the R or S configuration, and the substituents X and R 1 -R 9 are as defined herein.

  本发明的化合物由以下具有式I(A-E)和式(II)的芳基和杂芳基取代的四氢苯并哌啶和二氢苯并哌啶衍生物表示：其中指定为*的碳原子处于R或S构型，取代基X和R1-R9如本文所定义。
• AMIDE COMPOUND
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP2298731A1

  公开（公告）日：2011-03-23

  The present invention aims to provide a prophylactic or therapeutic agent for schizophrenia and the like, containing the compound of the present invention having a GPR52 agonist activity. A compound represented by the following formula (I) or a salt thereof: wherein, A is -CONH or the like, B is a hydrogen atom or a substituent, ring Cy1 is a benzene ring or the like, X1, X2 and X3 are each independently -CH= or -N= or the like, ring Cy2 is a carbon ring or the like, Z is a carbon atom or a nitrogen atom, L is a bond or the like, n is 1 or 2, Rb is a hydrogen atom or a substituent, and ring Cy3 is a benzene ring or the like.

  本发明旨在提供一种预防或治疗精神分裂症等疾病的药物，包含具有GPR52激动剂活性的本发明化合物。该化合物由以下式（I）或其盐表示：其中，A为-CONH或类似物，B为氢原子或取代基，环Cy1为苯环或类似物，X1、X2和X3分别独立为-CH=或-N=或类似物，环Cy2为碳环或类似物，Z为碳原子或氮原子，L为键或类似物，n为1或2，Rb为氢原子或取代基，环Cy3为苯环或类似物。
• Ring-Expansion Reaction of Oximes with Aluminum Reductants
  作者：Hidetsura Cho、Yusuke Iwama、Nakako Mitsuhashi、Kenji Sugimoto、Kentaro Okano、Hidetoshi Tokuyama

  DOI：10.3390/molecules17067348

  日期：——

  The ring-expansion reactions of heterocyclic ketoximes and carbocyclic ketoximes with several reductants such as AlHCl2, AlH3 (alane), LiAlH4, LiAlH(OtBu)3, and (MeOCH2CH2O)2AlH2Na (Red-Al) were examined. Among reductants, AlHCl2 (LiAlH4:AlCl3 = 1:3) in cyclopentyl methyl ether (CPME) has been found to be a suitable reagent for the reaction, and the rearranged cyclic secondary amines were obtained

  研究了杂环酮肟和碳环酮肟与几种还原剂如 AlHCl2、AlH3（铝烷）、LiAlH4、LiAlH(OtBu)3 和 (MeOCH2CH2O)2AlH2Na（Red-Al）的扩环反应。在还原剂中，环戊基甲基醚 (CPME) 中的 AlHCl2 (LiAlH4:AlCl3 = 1:3) 已被发现是适合该反应的试剂，并且重排的环状仲胺以良好到极好的收率获得。
• [EN] CARBOXY X RHODAMINE ANALOGS<br/>[FR] ANALOGUES DE CARBOXY X RHODAMINE
  申请人：PROMEGA CORP

  公开号：WO2013078244A1

  公开（公告）日：2013-05-30

  The present invention provides novel fluorescent dyes and kits containing the same, which are useful for labeling a wide variety of biomolecules, cells and microorganisms. The present invention also provides various methods of using the fluorescent dyes for research and development, forensic identification, environmental studies, diagnosis, prognosis and/or treatment of disease conditions.

  本发明提供了新型荧光染料和包含这些染料的试剂盒，可用于标记各种生物分子、细胞和微生物。本发明还提供了利用荧光染料进行研究和开发、法医鉴定、环境研究、诊断、预后和/或治疗疾病状况的各种方法。
• Androgen receptor modulators and methods of use thereof
  申请人：——

  公开号：US20040198717A1

  公开（公告）日：2004-10-07

  Compounds of structural formula (I) are disclosed as useful for modulating the androgen receptor (AR) in a tissue selective manner in a patient in need of such modulation, and in particular for antagonizing AR in the prostate of a male patient or in the uterus of a female patient and agonizing AR in bone and/or muscle tissue. These compounds are useful in the treating conditions caused by androgen deficiency or which can be ameliorated by androgen administration, including: osteoporosis, periodontal disease, bone fracture, bone damage following bone reconstructive surgery, sarcopenia, frailty, aging skin, male hypogonadism, female sexual dysfunction, post-menopausal symptoms in women, atherosclerosis, hypercholesterolemia, hyperlipidemia, aplastic anemia and other hematopoietic disorders, pancreatic cancer, renal cancer, prostate cancer, arthritis and joint repair, alone or in combination with other active agents. In addition, these compounds are useful as pharmaceutical composition ingredients alone and in combination with other active agents.

  结构式（I）的化合物被披露为对需要这种调节的患者中的雄激素受体（AR）进行组织选择性调节的有用物质，特别是在男性患者的前列腺或女性患者的子宫中对AR进行拮抗，以及在骨骼和/或肌肉组织中对AR进行激动作用。这些化合物在治疗由雄激素缺乏引起或可通过雄激素治疗改善的疾病中有用，包括：骨质疏松症，牙周病，骨折，骨重建手术后的骨损伤，肌无力，虚弱，老化皮肤，男性性腺功能减退，女性性功能障碍，女性更年期症状，动脉硬化，高胆固醇血症，高脂血症，再生障碍性贫血和其他造血障碍，胰腺癌，肾癌，前列腺癌，关节炎和关节修复，单独或与其他活性成分组合使用。此外，这些化合物作为药物组成部分，单独或与其他活性成分组合使用，也是有用的。