(4-hydroxypiperidin-1-yl)(4-methylphenyl)methanone

• 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: (4-hydroxypiperidin-1-yl)(4-methylphenyl)methanone
• 英文别名: (4-hydroxypiperidin-1-yl)-(4-methylphenyl)methanone
• 化学式: C₁₃H₁₇NO₂
• mdl: MFCD11610946
• 分子量: 219.283
• InChiKey: PHLKXINDYFUCQE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.461
• 拓扑面积：
  40.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-羟基哌啶 、 对甲基苯甲酰氯 在 三乙胺 作用下， 以 丁酮 为溶剂， 反应 2.25h， 以85%的产率得到(4-hydroxypiperidin-1-yl)(4-methylphenyl)methanone
  参考文献：
  名称：

  Crystal growth and characterization of new nonlinear optical piperidine derivative: (4-hydroxypiperidin-1-yl)(4-methylphenyl) methanone

  摘要：

  Organic compound (4-hydroxypiperidin-l-yl)(4-methylphenyl) methanone[HPMP] with molecular formula C13H17N O-2 was synthesized using Scholten-Boumann condensation reaction method. The single crystals were grown using slow evaporation solution growth technique. Single crystal XRD study shows that the compound crystallizes in the orthorhombic system with a space group Pca2(1).H-1 and C-13 NMR spectra were recorded to identify the various types of protons and carbons present in the compound and confirm the chemical structure. The Various functional groups present in the compound were identified using recorded FT-IR spectrum. The UV-Visible spectrum study reveals that the crystal is transparent in the entire visible region and the absorption is observed at 236 nm. The PL spectrum shows the emission takes place at 432 nm. The thermal study reveals that the thermal stability of the crystal is good. The Kurtz powder second harmonic generation (SHG) test shows that the HPMP is NLO active and its SHG efficiency is 1.86 times that of KDP. The micro hardness test was carried out and the work hardening coefficient value (n) of the crystal was found to be 2.20. This indicates that the crystal is hard and is suitable for device application. (C) 2017 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2017.10.043

文献信息

• [EN] NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY<br/>[FR] NOUVEAUX DÉRIVÉS FUSIONNÉS DE PYRIMIDINE POUR L'INHIBITION DE L'ACTIVITÉ TYROSINE KINASE
  申请人：HANMI HOLDINGS CO LTD

  公开号：WO2011162515A2

  公开（公告）日：2011-12-29

  The present invention relates to a novel fused pyrimidine derivative having an inhibitory activity for tyrosine kinases, and a pharmaceutical composition for preventing or treating cancers, tumors, inflammatory diseases, autoimmune diseases, or immunologically mediated diseases comprising same as an active ingredient.

  本发明涉及一种新型融合嘧啶衍生物，具有对酪氨酸激酶的抑制活性，并且涉及一种制备预防或治疗癌症、肿瘤、炎症性疾病、自身免疫疾病或免疫介导疾病的药物组合物，其包含该新型融合嘧啶衍生物作为活性成分。
• Arylalkylamine Compound and Process for Preparing the Same
  申请人：Miyazaki Hiroshi

  公开号：US20070225296A1

  公开（公告）日：2007-09-27

  The present invention relates to an arylalkylamine compound represented by the following formula [I] or a pharmaceutically acceptable salt thereof, a process for preparing the same, and use of the above-mentioned compound as an activating compound (CaSR agonist) of a Ca sensing receptor, a pharmaceutical composition containing the above-mentioned compound as an effective ingredient, etc. The symbols in the formula represent the following meanings: Ar: optionally substituted aryl or optionally substituted heteroaryl here, the cyclic portion of the heteroaryl is bicyclic heterocyclic ring in which 5- to 6-membered monocyclic heterocyclic ring containing 1 or 2 hetero atom(s) and benzene ring are fused; R 1 : a group selected from the group consisting of optionally substituted cyclic hydrocarbon group, and optionally substituted heterocyclic group; n: an integer of 1 to 3; X: single bonding arm, —CH 2 —, —CO—, —(CH 2 ) m —CO—, —CH(R 2 )—CO—, —(CH 2 ) p —Y—(C(R 3 )(R 4 )) q —CO—, —NH—CO— or —N(R 5 )—CO—; in the above-mentioned respective definitions of the X, the bonding arm described at the left end represents a bond with R 1 ; m is an integer of 1 to 3; p is an integer of 0 to 2; q is an integer of 0 to 2; Y: —O— or —SO 2 —; R 2 : phenyl or lower alkyl; R 3 , R 4 : each independently represents hydrogen atom or lower alkyl; R 5 : lower alkyl; provided that the ring portion of the group represented by R 1 is neither naphthylidine nor partially saturated group thereof, and, when X is —CH 2 — or —CO—, R 1 is not naphthyl.

  本发明涉及一种由以下公式[I]表示的芳基烷基胺化合物或其药学上可接受的盐，其制备方法，以及上述化合物作为钙感受受体的激活化合物（CaSR激动剂），以及含有上述化合物作为有效成分的制药组合物等的用途。公式中的符号表示以下含义：Ar：此处为可选取代的芳基或可选取代的杂环芳基，其中杂环的环部分是一个含有1或2个杂原子的5-至6元单环杂环，与苯环融合；R1：选自可选取代的环烃基团和可选取代的杂环基团的群；n：1至3的整数；X：单键臂、—CH2—、—CO—、—（CH2）m—CO—、—CH（R2）—CO—、—（CH2）p—Y—（C（R3）（R4））q—CO—、—NH—CO—或—N（R5）—CO—；在上述各定义的X中，左端所描述的键臂表示与R1的键；m为1至3的整数；p为0至2的整数；q为0至2的整数；Y：—O—或—SO2—；R2：苯基或低碳烷基；R3、R4：各自独立地表示氢原子或低碳烷基；R5：低碳烷基；前提是由R1表示的基团的环部分既不是萘亚甲基也不是其部分饱和基团，且当X为—CH2—或—CO—时，R1不是萘基。
• ARYLALKYLAMINE COMPOUND AND PROCESS FOR PREPARING THE SAME
  申请人：MIYAZAKI Hiroshi

  公开号：US20100249049A1

  公开（公告）日：2010-09-30

  The present invention relates to an arylalkylamine compound represented by the following formula [I] or a pharmaceutically acceptable salt thereof, a process for preparing the same, and use of the above-mentioned compound as an activating compound (CaSR agonist) of a Ca sensing receptor, a pharmaceutical composition containing the above-mentioned compound as an effective ingredient, etc. The symbols in the formula represent the following meanings: Ar: optionally substituted aryl or optionally substituted heteroaryl here, the cyclic portion of the heteroaryl is bicyclic heterocyclic ring in which 5- to 6-membered monocyclic heterocyclic ring containing 1 or 2 hetero atom(s) and benzene ring are fused; R 1 : a group selected from the group consisting of optionally substituted cyclic hydrocarbon group, and optionally substituted heterocyclic group; n: an integer of 1 to 3; X: single bonding arm, —CH 2 —, —CO—, —(CH 2 ) m —CO—, —CH(R 2 )—CO—, —(CH 2 ) p —Y—(C(R 3 )(R 4 )) q —CO—, —NH—CO— or —N(R 5 )—CO—; in the above-mentioned respective definitions of the X, the bonding arm described at the left end represents a bond with R 1 ; m is an integer of 1 to 3; p is an integer of 0 to 2; q is an integer of 0 to 2; Y: —O— or —SO 2 —; R 2 : phenyl or lower alkyl; R 3 , R 4 : each independently represents hydrogen atom or lower alkyl; R 5 : lower alkyl; provided that the ring portion of the group represented by R 1 is neither naphthylidine nor partially saturated group thereof, and, when X is —CH 2 — or —CO—, R 1 is not naphthyl.

  本发明涉及一种由下式[I]表示的芳基烷基胺化合物或其药学上可接受的盐，制备该化合物的方法，以及上述化合物作为钙感受受体（CaSR激动剂）的激活化合物、包含上述化合物作为有效成分的药物组合物等的用途。式中符号表示以下含义：Ar：可选取的取代芳基或可选取的取代杂环芳基，在此，所述杂环的环状部分是由1或2个杂原子的5-6元单环杂环与苯环融合而成的双环杂环；R1：选自可选取的取代环烃基团和可选取的取代杂环基团的群；n：为1至3的整数；X：单键连接臂，-CH2-，-CO-，-(CH2)m-CO-，-CH(R2)-CO-，-(CH2)p-Y-(C(R3)(R4))q-CO-，-NH-CO-或-N(R5)-CO-；在上述X的各自定义中，左端所述连接臂表示与R1的键合；m为1至3的整数；p为0至2的整数；q为0至2的整数；Y：-O-或-SO2-；R2：苯基或低碳烷基；R3，R4：各自独立地表示氢原子或低碳烷基；R5：低碳烷基；所述R1表示的基的环部分既不是萘亚甲基基团，也不是其部分饱和基团，当X为-CH2-或-CO-时，R1不是萘基。
• AMIDE, UREA OR SULFONE AMIDE LINKED BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE
  申请人：Bristol-Myers Squibb Company

  公开号：US20140045811A1

  公开（公告）日：2014-02-13

  The present invention provides compounds of Formula (I): as defined in the specification and compositions comprising any of such novel compounds. These compounds are endothelial lipase inhibitors which may be used as medicaments.

  本发明提供了公式（I）的化合物：如规范所定义的和包含任何这样的新化合物的组合物。这些化合物是内皮细胞脂肪酶抑制剂，可用作药物。
• NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY
  申请人：Cha Mi Young

  公开号：US20130116213A1

  公开（公告）日：2013-05-09

  The present invention relates to a novel fused pyrimidine derivative having an inhibitory activity for tyrosine kinases, and a pharmaceutical composition for preventing or treating cancers, tumors, inflammatory diseases, autoimmune diseases, or immunologically mediated diseases comprising same as an active ingredient.

  本发明涉及一种新型融合嘧啶衍生物，具有对酪氨酸激酶的抑制活性，以及一种药物组合物，其作为活性成分用于预防或治疗癌症、肿瘤、炎症性疾病、自身免疫疾病或免疫介导性疾病。