7-溴-1-氟萘 | 319-04-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 7-溴-1-氟萘
• 中文别名: 萘,7-溴-1-氟
• 英文名称: 7-Bromo-1-fluoronaphthalene
• 英文别名: 2-bromo-8-fluoro-naphthalene；2-bromo-8-fluoronaphthalene；1-Fluor-7-brom-naphthalin；8-Fluor-2-brom-naphthalin；8-Fluor-2-bromnaphthalin
• CAS: 319-04-0
• 化学式: C₁₀H₆BrF
• 分子量: 225.06
• InChiKey: WEEKQYGCPGZKSV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  7-溴-1-氟萘 在 吡啶 、 硫酸 、 溶剂黄146 作用下， 以 1,4-二氧六环 、 N,N-二甲基甲酰胺 为溶剂， 生成 8-Fluor-naphthalincarbonsaeure-2-methylester
  参考文献：
  名称：

  Substituent Effects. VIII.¹ Synthesis of Substituted α- and β-Fluoronaphthalenes²

  摘要：

  DOI：

  10.1021/ja00978a038
• 作为产物：
  描述：

  3-(4-溴苯甲酰)丙酸 在 盐酸 、 sodium hydroxide 、 氟硼酸钠 、 硫酸 、 盐酸羟胺 、 乙酸酐 、 sodium nitrite 作用下， 以 乙醇 、 水 、 溶剂黄146 、 xylene 为溶剂， 反应 0.75h， 生成 7-溴-1-氟萘
  参考文献：
  名称：

  Nuclear spin-spin coupling via nonbonded interactions. 7. Effects of molecular structure on nitrogen-fluorine coupling

  摘要：

  To test whether the recently discovered phenomenon of through-space nuclear spin-spin coupling between intramolecularly crowded N-15 and F-19 nuclei shows the same sort of striking dependence on molecular structure as the long-known phenomenon of through-space nuclear spin-spin coupling between pairs of intramolecularly crowded F-19 nuclei, several N-15-enriched oximes and some simple derivatives thereof were synthesized and their J(NF) values were determined by F-19 NMR spectroscopy. The experimental J(NF) values ranged from 8.6 to 43.5 Hz. The molecular structures of these compounds were determined by single-crystal X-ray diffraction. The observed dependence of the N-15-F-19 coupling constants on molecular structure was qualitatively consistent with the predictions of the lone-pair orbital overlap theory that was developed earlier to account for through-space coupling involving fluorine nuclei.

  DOI：

  10.1021/jo00027a063

文献信息

• Substituted imidazol-pyridazine derivatives
  申请人：——

  公开号：US20030229096A1

  公开（公告）日：2003-12-11

  The present invention relates to compounds of formula 1 wherein A is an unsubstituted or substituted cyclic group; and R is hydrogen or lower alkyl; or a pharmaceutically acceptable acid addition salt thereof. These compounds are NMDA NR-2B receptor subtype specific blockers and are useful in the treatment of neurodegeneration, depression and pain.

  本发明涉及以下式的化合物 1 其中A是未取代或取代的环状基团；以及 R是氢或较低的烷基； 或其药学上可接受的酸盐。这些化合物是NMDA NR-2B受体亚型特异性阻断剂，对于治疗神经退行性疾病、抑郁症和疼痛具有用处。
• [EN] SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES<br/>[FR] DÉRIVÉS DE DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE SUBSTITUÉS
  申请人：BAYER AG

  公开号：WO2019219517A1

  公开（公告）日：2019-11-21

  The invention relates to substituted dihydropyrazolo pyrazine carboxamide derivatives and to processes for their preparation, and also to their use for preparing medicaments for the treatment and/or prophylaxis of diseases, in particular cardiovascular disorders, preferably thrombotic or thromboembolic disorders, and diabetes, and also urogenital and ophthalmic disorders.

  这项发明涉及替代二氢吡唑吡嗪羧酰胺衍生物，以及它们的制备方法，还涉及它们用于制备治疗和/或预防疾病的药物，特别是心血管疾病，优选为血栓性或血栓栓塞性疾病，糖尿病，以及泌尿生殖和眼科疾病。
• Aryl- and heteroaryl-substituted tetrahydroisoquinolines and use thereof to block reuptake of norepinephrine, dopamine, and serotonin
  申请人：Molino F. Bruce

  公开号：US20060052378A1

  公开（公告）日：2006-03-09

  The compounds of the present invention are represented by the chemical structure found in Formula (I): wherein: the carbon atom designated * is in the R or S configuration; and X is a fused bicyclic carbocycle or heterocycle selected from the group consisting of benzofuranyl, benzo[b]thiophenyl, benzoisothiazolyl, benzoisoxazolyl, indazolyl, indolyl, isoindolyl, indolizinyl, benzoimidazolyl, benzooxazolyl, benzothiazolyl, benzotriazolyl, imidazo[1,2-a]pyridinyl, pyrazolo[1,5-a]pyridinyl, [1,2,4]triazolo[4,3-a]pyridinyl, thieno[2,3-b]pyridinyl, thieno[3,2-b]pyridinyl, 1H-pyrrolo[2,3-b]pyridinyl, indenyl, indanyl, dihydrobenzocycloheptenyl, tetrahydrobenzocycloheptenyl, dihydrobenzothiophenyl, dihydrobenzofuranyl, indolinyl, naphthyl, tetrahydronaphthyl, quinolinyl, isoquinolinyl, 4H-quinolizinyl, 9aH-quinolizinyl, quinazolinyl, cinnolinyl, phthalazinyl, quinoxalinyl, benzo[1,2,3]triazinyl, benzo[1,2,4]triazinyl, 2H-chromenyl, 4H-chromenyl, and a fused bicyclic carbocycle or fused bicyclic heterocycle optionally substituted with substituents (1 to 4 in number) as defined in R 14 ; with R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , and R 14 defined herein.

  本发明的化合物由以下式中的化学结构表示（I）： 其中： 指定为*的碳原子处于R或S构型；X是从苯并呋喃基、苯并噻吩基、苯并异噻唑基、苯并异噁唑基、吲哚基、吲哚基、异吲哚基、吲哚啉基、苯并咪唑基、苯并噁唑基、苯并噻唑基、苯并三唑基、咪唑并[1,2-a]吡啶基、吡唑并[1,5-a]吡啶基、[1,2,4]三唑并[4,3-a]吡啶基、噻吩并[2,3-b]吡啶基、噻吩并[3,2-b]吡啶基、1H-吡咯并[2,3-b]吡啶基、茚基、茚基、二氢苯并环庚烯基、四氢苯并环庚烯基、二氢苯并噻吩基、二氢苯并呋喃基、吲啉基、萘基、四氢萘基、喹啉基、异喹啉基、4H-喹啉基、9aH-喹啉基、喹唑啉基、喜啉基、邻苯二嗪基、喹啉基、苯并[1,2,3]三嗪基、苯并[1,2,4]三嗪基、2H-香豆素基、4H-香豆素基或者是一个可选地用取代基（1至4个）取代的螺联苯环或螺联杂环的螺联双环碳环或螺联双环杂环； 其中R1、R2、R3、R4、R5、R6、R7、R8和R14在此处定义。
• Use of aryl- and heteroaryl-substituted tetrahydroisoquinolines to block reuptake of norepinephrine, dopamine, and serotonin
  申请人：Molino F. Bruce

  公开号：US20060063766A1

  公开（公告）日：2006-03-23

  The compounds of the present invention are represented by the chemical structure found in Formula (I): wherein: the carbon atom designated * is in the R or S configuration; and X is a fused bicyclic carbocycle or heterocycle selected from the group consisting of benzofuranyl, benzo[b]thiophenyl, benzoisothiazolyl, benzoisoxazolyl, indazolyl, indolyl, isoindolyl, indolizinyl, benzoimidazolyl, benzooxazolyl, benzothiazolyl, benzotriazolyl, imidazo[1,2-a]pyridinyl, pyrazolo[1,5-a]pyridinyl, [1,2,4]triazolo[4,3-a]pyridinyl, thieno[2,3-b]pyridinyl, thieno[3,2-b]pyridinyl, 1H-pyrrolo[2,3-b]pyridinyl, indenyl, indanyl, dihydrobenzocycloheptenyl, tetrahydrobenzocycloheptenyl, dihydrobenzothiophenyl, dihydrobenzofuranyl, indolinyl, naphthyl, tetrahydronaphthyl, quinolinyl, isoquinolinyl, 4H-quinolizinyl, 9aH-quinolizinyl, quinazolinyl, cinnolinyl, phthalazinyl, quinoxalinyl, benzo[1,2,3]triazinyl, benzo[1,2,4]triazinyl, 2H-chromenyl, 4H-chromenyl, and a fused bicyclic carbocycle or fused bicyclic heterocycle optionally substituted with substituents (1 to 4 in number) as defined in R 14 ; with R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , and R 14 defined herein.

  本发明的化合物由公式（I）中的化学结构表示：其中：指定*的碳原子处于R或S构型中；X是从苯并呋喃基、苯并[b]噻吩基、苯并异噻唑基、苯并异噁唑基、吲哚基、吲哚基、异吲哚基、吲哚咪唑基、苯并噁唑基、苯并噻唑基、苯并三氮唑基、咪唑并[1,2-a]吡啶基、吡唑并[1,5-a]吡啶基、[1,2,4]三唑并[4,3-a]吡啶基、噻吩并[2,3-b]吡啶基、噻吩并[3,2-b]吡啶基、1H-吡咯并[2,3-b]吡啶基、茚基、茚基、二氢苯并环庚基、四氢苯并环庚基、二氢苯并噻吩基、二氢苯并呋喃基、吲哚啉基、萘基、四氢萘基、喹啉基、异喹啉基、4H-喹啉啶基、9aH-喹啉啶基、喹唑啉基、茜素啉基、邻苯二酚基、喹啉并[1,2,3]三唑基、喹啉并[1,2,4]三唑基、2H-香豆素基、4H-香豆素基或者是一个融合的双环碳环或融合的双环杂环，可选地用R14中定义的取代基（1至4个）取代；其中R1、R2、R3、R4、R5、R6、R7、R8和R14在此定义。
• ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN
  申请人：MOLINO Bruce F.

  公开号：US20090253906A1

  公开（公告）日：2009-10-08

  The compounds of the present invention are represented by the chemical structure found in Formula (I): wherein: the carbon atom designated * is in the R or S configuration; and X is a fused bicyclic carbocycle or heterocycle selected from the group consisting of benzofuranyl, benzo[b]thiophenyl, benzoisothiazolyl, benzoisoxazolyl, indazolyl, indolyl, isoindolyl, indolizinyl, benzoimidazolyl, benzooxazolyl, benzothiazolyl, benzotriazolyl, imidazo[1,2-a]pyridinyl, pyrazolo[1,5-a]pyridinyl, [1,2,4]triazolo[4,3 -a]pyridinyl, thieno[2,3-b]pyridinyl, thieno[3,2-b]pyridinyl, 1H-pyrrolo[2,3-b]pyridinyl, indenyl, indanyl, dihydrobenzocycloheptenyl, tetrahydrobenzocycloheptenyl, dihydrobenzothiophenyl, dihydrobenzofuranyl, indolinyl, naphthyl, tetrahydronaphthyl, quinolinyl, isoquinolinyl, 4H-quinolizinyl, 9aH-quinolizinyl, quinazolinyl, cinnolinyl, phthalazinyl, quinoxalinyl, benzo[1,2,3]triazinyl, benzo[1,2,4]triazinyl, 2H-chromenyl, 4H-chromenyl, and a fused bicyclic carbocycle or fused bicyclic heterocycle optionally substituted with substituents (1 to 4 in number) as defined in R 14 ; with R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , and R 14 defined herein.

  本发明的化合物由公式（I）中的化学结构表示：其中：指定的碳原子*处于R或S构型；并且X是从苯并呋喃基，苯并[b]噻吩基，苯并异噻唑基，苯并异恶唑基，吲哚基，吲哚基，异吲哚基，吲哚吩基，苯并咪唑基，苯并噁唑基，苯并噻唑基，苯并三唑基，咪唑[1,2-a]吡啶基，吡唑并[1,5-a]吡啶基，[1,2,4]三唑并[4,3-a]吡啶基，噻吩并[2,3-b]吡啶基，噻吩并[3,2-b]吡啶基，1H-吡咯并[2,3-b]吡啶基，茚基，茚基，二氢苯并环庚烯基，四氢苯并环庚烯基，二氢苯并噻吩基，二氢苯并呋喃基，吲哚啉基，萘基，四氢萘基，喹啉基，异喹啉基，4H-喹唑啉基，9aH-喹唑啉基，喹嗪基，茚并吡啶基，邻苯二酚基，喹啉并苯并三唑基，2H-香豆素基，4H-香豆素基或者是一个融合的双环碳环或融合的双环杂环，可选地用定义在R14中的取代基（1到4个）取代；其中R1，R2，R3，R4，R5，R6，R7，R8和R14在此定义。