7-bromo-3,4-dihydronaphthalen-1(2H)-one oxime | 877263-91-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: 7-bromo-3,4-dihydronaphthalen-1(2H)-one oxime
• 英文别名: N-(7-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
• CAS: 877263-91-7
• 化学式: C₁₀H₁₀BrNO
• 分子量: 240.099
• InChiKey: QNSMOZUNAIAYOU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 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：
  32.6
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  7-bromo-3,4-dihydronaphthalen-1(2H)-one oxime 在 盐酸 、 氟硼酸钠 、 硫酸 、 乙酸酐 、 sodium nitrite 作用下， 以 溶剂黄146 、 xylene 为溶剂， 反应 0.5h， 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
• 作为产物：
  描述：

  3-(4-溴苯甲酰)丙酸 在 sodium hydroxide 、 盐酸羟胺 作用下， 以 乙醇 、 水 为溶剂， 反应 0.25h， 生成 7-bromo-3,4-dihydronaphthalen-1(2H)-one oxime
  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

• [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。
• Multicyclic bis-amide MMP inhibitors
  申请人：Powers Timothy

  公开号：US20060173183A1

  公开（公告）日：2006-08-03

  The present invention relates generally to bis-amide group containing pharmaceutical agents, and in particular, to multicyclic bis-amide MMP-13 inhibitor compounds. More particularly, the present invention provides a new class of MMP-13 inhibiting compounds, containing a pyrimidinyl bis-amide group in combination with a heterocyclic moiety, that exhibit an increased potency and solubility in relation to currently known bis-amide group containing MMP-13 inhibitors.

  本发明总体涉及含有双酰胺基团的药物制剂，特别是多环双酰胺MMP-13抑制剂化合物。更具体地，本发明提供了一类新型的MMP-13抑制化合物，它们含有与杂环部分结合的嘧啶基双酰胺基团，与目前已知含双酰胺基团的MMP-13抑制剂相比，显示出增加的活性和溶解度。
• 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。
• [EN] HETEROCYCLIC AMIDES AS KINASE INHIBITORS<br/>[FR] AMIDES HÉTÉROCYCLIQUES À UTILISER EN TANT QU'INHIBITEURS DE KINASE
  申请人：GLAXOSMITHKLINE IP DEV LTD

  公开号：WO2014125444A1

  公开（公告）日：2014-08-21

  Disclosed are compounds having the formula (I) wherein X, Y, Z1, Z2, Z3, Z4, R5, RA, m, A. L, and B are as defined herein, and methods of making and using the same.

  揭示了具有式（I）的化合物，其中X、Y、Z1、Z2、Z3、Z4、R5、RA、m、A、L和B如本文所定义，并公开了制备和使用这些化合物的方法。
• Highly enantioselective [3+2] coupling of cyclic enamides with quinone monoimines promoted by a chiral phosphoric acid
  作者：Minmin Zhang、Shuowen Yu、Fangzhi Hu、Yijun Liao、Lihua Liao、Xiaoying Xu、Weicheng Yuan、Xiaomei Zhang

  DOI：10.1039/c6cc01200k

  日期：——

  Enantioselective [3+2] coupling of cyclic enamides with quinone monoimines was realised using a chiral phosphoric acid as a catalyst. This transformation allowed for the synthesis of highly enantioenriched polycyclic 2,3-dihydrobenzofurans...

  使用手性磷酸作为催化剂，实现环酰胺与醌单亚胺的对映选择性[3 + 2]偶联。该转化允许合成高度对映体富集的多环2,3-二氢苯并呋喃。