1-(4-chloro-phenyl)-3-oxo-cyclobutanecarbonitrile | 1190643-83-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(4-chloro-phenyl)-3-oxo-cyclobutanecarbonitrile
• 英文别名: 1-(4-chlorophenyl)-3-oxocyclobutane-1-carbonitrile
• CAS: 1190643-83-4
• 化学式: C₁₁H₈ClNO
• 分子量: 205.644
• InChiKey: BHTSVSBLYGFAQQ-UHFFFAOYSA-N

物化性质

• 沸点：
  379.0±42.0 °C(Predicted)
• 密度：
  1.31±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  40.9
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(4-chloro-phenyl)-3-oxo-cyclobutanecarbonitrile 在 二乙胺基三氟化硫 作用下， 以 二氯甲烷 为溶剂， 以55%的产率得到1-(4-Chlorophenyl)-3,3-difluorocyclobutane-1-carbonitrile
  参考文献：
  名称：

  [EN] TETRAHYDROISOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY
  [FR] TÉTRAHYDROISOQUINOLÉINES, COMPOSITIONS PHARMACEUTIQUES LES CONTENANT ET LEUR UTILISATION EN THÉRAPIE

  摘要：

  公开号：

  WO2009121872A3
• 作为产物：
  描述：

  对氯苯乙腈 在 盐酸 、 sodium hydride 作用下， 以 1,4-二氧六环 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.67h， 生成 1-(4-chloro-phenyl)-3-oxo-cyclobutanecarbonitrile
  参考文献：
  名称：

  [EN] 3-ALKYNYL CARBOXAMIDES AS AEP MODULATORS
  [FR] 3-ALKYNYL CARBOXAMIDES EN TANT QUE MODULATEURS D'AEP

  摘要：

  The invention relates to novel compounds having the general formula (I), wherein R1, R10, Rx, Ry, Y, m, and n are as described herein, composition including the compounds and methods of using the compounds.

  公开号：

  WO2023165943A1

文献信息

• TETRAHYDROISOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY
  申请人：Amberg Wilhelm

  公开号：US20110105502A1

  公开（公告）日：2011-05-05

  The present invention relates to tetrahydroisoquinoline of the formula (I) or a physiologically tolerated salt thereof. The invention relates to pharmaceutical compositions comprising such tetrahydroisoquinolines, and the use of such tetrahydroisoquinolines for therapeutic purposes. The tetrahydroisoquinolines are GlyT1 inhibitors.

  本发明涉及式(I)的四氢异喹啉或其生理上可耐受的盐。本发明涉及包含这种四氢异喹啉的药物组合物，以及使用这种四氢异喹啉进行治疗目的的用途。这些四氢异喹啉是GlyT1抑制剂。
• Tetrahydroisoquinolines, pharmaceutical compositions containing them, and their use in therapy
  申请人：Ochse Michael

  公开号：US08653100B2

  公开（公告）日：2014-02-18

  The present invention relates to tetrahydroisoquinoline of the formula (I) or a physiologically tolerated salt thereof. The invention relates to pharmaceutical compositions comprising such tetrahydroisoquinolines, and the use of such tetrahydroisoquinolines for therapeutic purposes. The tetrahydroisoquinolines are GlyT1 inhibitors.

  本发明涉及公式(I)的四氢异喹啉或其生理耐受的盐。本发明涉及包括这种四氢异喹啉的药物组合物，以及利用这种四氢异喹啉进行治疗的用途。这些四氢异喹啉是GlyT1抑制剂。
• Convergent, Kilogram Scale Synthesis of an Akt Kinase Inhibitor
  作者：Pintipa Grongsaard、Paul G. Bulger、Debra J. Wallace、Lushi Tan、Qinghao Chen、Sarah J. Dolman、Jason Nyrop、R. Scott Hoerrner、Mark Weisel、Juan Arredondo、Takahiro Itoh、Chengfu Xie、Xianghui Wen、Dalian Zhao、Daniel J. Muzzio、Ephraim M. Bassan、C. Scott Shultz

  DOI：10.1021/op300031r

  日期：2012.5.18

  The development of a convergent, chromatography-free synthesis of an allosteric Akt kinase inhibitor is described. The route comprised 17 total steps and was used to produce kilogram quantities of the target molecule. A key early transformation, for which both batch and flow protocols were developed, was formylation of a dianion derived by deprotonation and subsequent lithium-halogen exchange from a 2-bromo-3-aminopyridine precursor. Improved reaction yield and practicality were achieved in the continuous processing mode. Further significant process developments included the safe execution of a high temperature and pressure hydrazine displacement, separation of substituted cyclobutane diastereomers by means of chemoselective ester hydrolysis, and a late-stage Suzuki fragment coupling under mild conditions.
• US8653100B2
  申请人：——

  公开号：US8653100B2

  公开（公告）日：2014-02-18
• US8957089B2
  申请人：——

  公开号：US8957089B2

  公开（公告）日：2015-02-17