1-tert-butyloxycarbonyl-1,2,3,4-tetrahydro-3-methylquinoline | 179898-82-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 1-tert-butyloxycarbonyl-1,2,3,4-tetrahydro-3-methylquinoline
• 英文别名: tert-Butyl 3-methyl-3,4-dihydroquinoline-1(2H)-carboxylate；tert-butyl 3-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
• CAS: 179898-82-9
• 化学式: C₁₅H₂₁NO₂
• 分子量: 247.337
• InChiKey: GHSGVQKTCAMTDS-UHFFFAOYSA-N

物化性质

• 沸点：
  334.8±12.0 °C(Predicted)
• 密度：
  1.054±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-tert-butyloxycarbonyl-1,2,3,4-tetrahydro-3-methylquinoline 以51 mg (83%)的产率得到3-甲基-1,2,3,4-四氢喹啉
  参考文献：
  名称：

  Tricyclic steroid receptor modulator compounds and methods

  摘要：

  披露了对类固醇受体具有高亲和力、高选择性调节剂的非类固醇化合物。还披露了包含这些化合物的药物组合物、使用所披露的化合物和组合物治疗需要类固醇受体激动剂或拮抗剂治疗的患者的方法，以及在制备这些化合物中有用的中间体和制备类固醇受体调节剂化合物的过程。

  公开号：

  US05696130A1
• 作为产物：
  描述：

  1-(tert-butoxycarbonyl)-3-methyl-2,3-dihydro-1H-quinolin-4-one 、 ammonium chloride 在 palladium-carbon 作用下， 以 sodium borohydrid 、 乙酸乙酯 为溶剂， 以104 mg (95%)的产率得到1-tert-butyloxycarbonyl-1,2,3,4-tetrahydro-3-methylquinoline
  参考文献：
  名称：

  Steroid receptor modulator compounds and methods

  摘要：

  披露了对类固醇受体具有高亲和力、高选择性调节剂的非类固醇化合物。还披露了包含这些化合物的药物组合物、使用所披露的化合物和组合物治疗需要类固醇受体激动剂或拮抗剂治疗的患者的方法，以及在制备这些化合物中有用的中间体和制备类固醇受体调节剂化合物的过程。

  公开号：

  US05688810A1

文献信息

• Tricyclic steroid receptor modulator compounds and methods
  申请人：Ligand Pharmaceuticals Incorporated

  公开号：US05696130A1

  公开（公告）日：1997-12-09

  Non-steroidal compounds which are high affinity, high selectivity modulators for steroid receptors are disclosed. Also disclosed are pharmaceutical compositions incorporating such compounds, methods for employing the disclosed compounds and compositions for treating patients requiring steroid receptor agonist or antagonist therapy, intermediates useful in the preparation of the compounds and processes for the preparation of the steroid receptor modulator compounds.

  披露了对类固醇受体具有高亲和力、高选择性调节剂的非类固醇化合物。还披露了包含这些化合物的药物组合物、使用所披露的化合物和组合物治疗需要类固醇受体激动剂或拮抗剂治疗的患者的方法，以及在制备这些化合物中有用的中间体和制备类固醇受体调节剂化合物的过程。
• Biocatalyzed synthesis of the optically pure (R) and (S) 3-methyl-1,2,3,4-tetrahydroquinoline and their use as chiral synthons for the preparation of the antithrombic (21R)- and (21S)-argatroban
  申请人：Euticals S.P.A.

  公开号：US20160122303A1

  公开（公告）日：2016-05-05

  The present invention relates to the biocatalyzed synthesis of enantiomerically pure (3R) and (3S)-methyl-1,2,3,4-tetrahydroquinoline. Said enantiomerically pure compounds are useful as chiral synthons in organic synthesis and, in particular, for the preparation of diastereomerically pure (21R) and (21S)-agratroban and its analogues. New compounds used as intermediates in the process of the invention are also disclosed.

  本发明涉及生物催化合成对映纯的(3R)和(3S)-甲基-1,2,3,4-四氢喹啉。所述对映纯化合物在有机合成中作为手性合成物起到有用作用，特别是用于制备对映异构体纯的(21R)和(21S)-阿格曲班及其类似物。本发明还公开了作为中间体在该过程中使用的新化合物。
• FUSED HETEROCYCLIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS
  申请人：Kuduk Scott D.

  公开号：US20110201607A1

  公开（公告）日：2011-08-18

  The present invention is directed to fused heterocyclic compounds of formula (I): which are M1 receptor positive allosteric modulators and that are useful in the treatment of diseases in which the M1 receptor is involved, such as Alzheimer's disease, schizophrenia, pain or sleep disorders. The invention is also directed to pharmaceutical compositions comprising the compounds, and to the use of the compounds and compositions in the treatment of diseases mediated by the M1 receptor.

  本发明涉及公式(I)的融合杂环化合物，其为M1受体正向变构调节剂，可用于治疗M1受体参与的疾病，如阿尔茨海默病、精神分裂症、疼痛或睡眠障碍。本发明还涉及包含该化合物的药物组合物，以及该化合物和组合物在治疗M1受体介导的疾病中的使用。
• Methods for the preparation of coumarine derivatives
  申请人：LIGAND PHARMACEUTICALS INCORPORATED

  公开号：EP1041071A1

  公开（公告）日：2000-10-04

  Non-steroidal compounds which are high affinity, high selectivity modulators for steroid receptors are disclosed. Also disclosed are pharmaceutical compositions incorporating such compounds, methods for employing the disclosed compounds and compositions for treating patients requiring steroid receptor agonist or antagonist therapy, intermediates useful in the preparation of the compounds and processes for the preparation of the steroid receptor modulator compounds.

  本发明公开了对类固醇受体具有高亲和力、高选择性调节作用的非类固醇化合物。还公开了含有此类化合物的药物组合物、使用所公开化合物和组合物治疗需要类固醇受体激动剂或拮抗剂治疗的患者的方法、制备化合物时有用的中间体以及制备类固醇受体调节剂化合物的工艺。
• Biocatalyzed synthesis of the optically pure (R) and (S) 3-methyl-1,2,3,4-tetrahydroquinoline and their use as chiral synthons for the preparation of the antithrombotic (21R)- and (21S)-argatroban
  申请人：Euticals S.P.A.

  公开号：EP2824187A1

  公开（公告）日：2015-01-14

  The present invention relates to the biocatalyzed synthesis of enantiomerically pure (3R) and (3S)-methyl-1,2,3,4-tetrahydroquinoline. Said enantiomerically pure compounds are useful as chiral synthons in organic synthesis and, in particular, for the preparation of diastereomerically pure (21 R) and (21 S)-agratroban and its analogues. New compounds used as intermediates in the process of the invention are also disclosed.

  本发明涉及生物催化合成对映体纯的(3R)和(3S)-甲基-1,2,3,4-四氢喹啉。上述对映体纯化合物可用作有机合成中的手性合成子，特别是用于制备非对映纯的（21 R）和（21 S）-阿曲洛班及其类似物。此外，还公开了在本发明工艺中用作中间体的新化合物。