2-氨基-1-环己基-1-乙酮氯化氢 | 349495-48-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2-氨基-1-环己基-1-乙酮氯化氢
• 中文别名: 2-氨基-1-环己基乙-1-酮盐酸盐
• 英文名称: 2-amino-1-cyclohexylethan-1-one hydrochloride
• 英文别名: 2-amino-1-cyclohexyl-1-ethanone hydrogen chloride；2-amino-1-cyclohexylethanone hydrochloride；2-amino-1-cyclohexylethanone;hydrochloride
• CAS: 349495-48-3
• 化学式: C₈H₁₅NO*ClH
• mdl: MFCD25371796
• 分子量: 177.674
• InChiKey: APAQFIMKCGMBQP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.875
• 拓扑面积：
  43.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-氨基-1-环己基-1-乙酮氯化氢 在 吡啶 、 盐酸 、 [bis(2-methylallyl)cycloocta-1,5-diene]ruthenium(II) 、 (R,R)-2,2″-bis[(S)-1-diphenylphosphinoethyl]-1,1″-biferrocene 、 水 、 氢气 、 碳酸氢钠 、 三氯氧磷 作用下， 以 1,4-二氧六环 、 二氯甲烷 、 水 、 乙酸乙酯 、 甲苯 为溶剂， 80.0 ℃ 、5.07 MPa 条件下， 反应 11.03h， 生成 (R)-2-benzamido-1-cyclohexylethyl (S)-2-methoxy-2-phenylacetate
  参考文献：
  名称：

  Catalytic Asymmetric Hydrogenation of N-Boc-Imidazoles and Oxazoles

  摘要：

  Substituted imidazoles and oxazoles were respectively hydrogenated into the corresponding chiral imidazolines and oxazolines (up to 99% ee). The highly enantioselective hydrogenation was achieved by using the chiral ruthenium catalyst, which is generated from Ru(eta(3)-methallyl)(2)(cod) and a trans-chelating chiral bisphosphine ligand, PhTRAP. This is the first successful catalytic asymmetric reduction of 5-membered aromatic rings containing two or more heteroatoms.

  DOI：

  10.1021/ja201543h
• 作为产物：
  描述：

  2-溴-1-环己基乙酮 在 盐酸 、 sodium azide 、 palladium 10% on activated carbon 、 氢气 作用下， 以 甲醇 、 水 为溶剂， 反应 28.0h， 生成 2-氨基-1-环己基-1-乙酮氯化氢
  参考文献：
  名称：

  Catalytic Asymmetric Hydrogenation of N-Boc-Imidazoles and Oxazoles

  摘要：

  Substituted imidazoles and oxazoles were respectively hydrogenated into the corresponding chiral imidazolines and oxazolines (up to 99% ee). The highly enantioselective hydrogenation was achieved by using the chiral ruthenium catalyst, which is generated from Ru(eta(3)-methallyl)(2)(cod) and a trans-chelating chiral bisphosphine ligand, PhTRAP. This is the first successful catalytic asymmetric reduction of 5-membered aromatic rings containing two or more heteroatoms.

  DOI：

  10.1021/ja201543h

文献信息

• Heteroaryl-Pyrazole Derivatives as Cannabinoid CB1 Receptor Antagonists
  申请人：LEE Jinhwa

  公开号：US20080081812A1

  公开（公告）日：2008-04-03

  A heteroaryl-pyrazole compound of formula (I) or a pharmaceutically acceptable salt thereof is effective as a cannabinoid CB 1 receptor inverse agonist or antagonist, which is useful for preventing or treating obesity and obesity-related metabolic disorders. The present invention also provides a method for preparing the inventive heteroaryl-pyrasole compounds or a pharmaceutically acceptable salt thereof, a pharmaceutical composition containing same, and a method for preventing or treating obesity and obesity-related metabolic disorders.

  一种异芳基-吡唑化合物，其公式为(I)或其药用可接受盐，可作为大麻素CB1受体的反向激动剂或拮抗剂，用于预防或治疗肥胖及其相关代谢紊乱。本发明还提供了制备本发明的异芳基-吡唑化合物或其药用可接受盐的方法，包含该化合物的药物组合物，以及用于预防或治疗肥胖及其相关代谢紊乱的方法。
• Novel substituted pyrazolo[4,3-e]diazepines, pharmaceutical compositions containing them, use as medicinal products and processes for preparing them
  申请人：——

  公开号：US20030171364A1

  公开（公告）日：2003-09-11

  The invention relates to novel substituted pyrazolo[4,3-e]-diazepines of general formula (I), to pharmaceutical compositions containing them, to their use as medicinal products and to processes for preparing them.

  这项发明涉及一种新型的取代吡唑并[4,3-e]-二氮杂环庚烷的一般式(I)，以及含有它们的药物组合物，它们作为药物的用途以及制备它们的方法。
• Kinetic Resolution of 2‐ <i>N</i> ‐Acylamido Tertiary Allylic Alcohols: Asymmetric Synthesis of Oxazolines
  作者：Yongkai Pan、Qianwen Jiang、Subramani Rajkumar、Chaofan Zhu、Jinglei Xie、Shaoze Yu、Yunrong Chen、Yu‐Peng He、Xiaoyu Yang

  DOI：10.1002/adsc.202001051

  日期：2021.1.5

  series of cyclohexyl‐fused SPINOL‐derived phosphoric acids (Cy‐SPA) have been developed to catalyze the kinetic resolution of 2‐N‐acylamido tertiary allylic alcohols, providing access to chiral oxazolines bearing C‐2 alkyl substituents with high enantioselectivities (with s‐factors up to 153). Gram‐scale reaction with 1 mol% catalyst loading and transformations of the chiral products demonstrates the

  已经开发了一系列环己基稠合的SPINOL衍生的磷酸（Cy-SPA）来催化2- N-酰基酰胺基叔烯丙基醇的动力学拆分，从而提供了具有高对映选择性的C-2烷基取代基的手性恶唑啉s因子高达153）。催化剂量为1 mol％的革兰氏反应和手性产物的转化证明了这些方法的价值。
• A continuous-flow synthesis of 1,4-benzodiazepin-5-ones, privileged scaffolds for drug discovery
  作者：Monica Viviano、Ciro Milite、Donatella Rescigno、Sabrina Castellano、Gianluca Sbardella

  DOI：10.1039/c4ra13392g

  日期：——

  continuous-flow protocol for the synthesis of the privileged structure 3,4-dihydro-5H-benzo[e][1,4]diazepin-5-one is reported. If compared to the traditional metal mediated non-catalytic reduction procedure, this approach is high yielding and does not require purification steps and therefore could be conveniently used for the generation of compound libraries for drug discovery.

  报道了一种有效的和克级的连续流协议，用于合成特权结构3,4-dihydro-5 H-苯并[ e ] [1,4]二氮杂-5-5-酮。如果与传统的金属介导的非催化还原程序相比，该方法产率高且不需要纯化步骤，因此可以方便地用于生成用于药物发现的化合物库。
• Novel substituted pyrazolo[4,3-e]diazepines, pharmaceutical compositions containing them, use as medical products and processes for preparing them
  申请人：Burnouf Catherine

  公开号：US20050130957A1

  公开（公告）日：2005-06-16

  The invention relates to novel substituted pyrazolo[4,3-e]-diazepines of general formula: to pharmaceutical compositions containing them, to their use as medicinal products and to processes for preparing them.

  本发明涉及一种新的取代的嘧唑并[4,3-e]-二氮杂环己烷通式：以及含有它们的制药组合物，它们作为药物的使用以及制备它们的过程。