tert-butyl (2-((4-fluorobenzyl)amino)ethyl)carbamate | 519172-79-3

• 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: tert-butyl (2-((4-fluorobenzyl)amino)ethyl)carbamate
• 英文别名: tert-butyl N-[2-[(4-fluorophenyl)methylamino]ethyl]carbamate
• CAS: 519172-79-3
• 化学式: C₁₄H₂₁FN₂O₂
• 分子量: 268.331
• InChiKey: UBZDUXBABQPOFX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  19
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  50.4
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2924299090

反应信息

• 作为反应物：
  描述：

  tert-butyl (2-((4-fluorobenzyl)amino)ethyl)carbamate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 6.0h， 以85%的产率得到N-(4-氟苄基)-1,2-乙二胺
  参考文献：
  名称：

  Synthesis of 1- and 4-substituted piperazin-2-ones via Jocic-type reactions with N-substituted diamines

  摘要：

  对映富集的三氯甲基含有的醇通过改良的Jocic反应，以立体对映富集的1-取代哌嗪酮的方式被选择性地转化。

  DOI：

  10.1039/c4ob02311k
• 作为产物：
  描述：

  N-叔丁氧羰基-1,2-乙二胺 、 对氟苯甲醛 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 24.0h， 以44%的产率得到tert-butyl (2-((4-fluorobenzyl)amino)ethyl)carbamate
  参考文献：
  名称：

  Synthesis of 1- and 4-substituted piperazin-2-ones via Jocic-type reactions with N-substituted diamines

  摘要：

  对映富集的三氯甲基含有的醇通过改良的Jocic反应，以立体对映富集的1-取代哌嗪酮的方式被选择性地转化。

  DOI：

  10.1039/c4ob02311k

文献信息

• Methods of using piperazine derivatives
  申请人：Pfizer Inc

  公开号：US20040092529A1

  公开（公告）日：2004-05-13

  The present invention relates to compounds of the formula I 1 and the pharmaceutically acceptable forms thereof; wherein X, Y, a, b, c, d, R 1 , R 2 , R 3 , R 4 and R 5 are as defined herein. Moreover, the present invention is also directed at pharmaceutical compositions comprising a compound of the formula I and a pharmaceutically acceptable carrier. Furthermore, the present invention is directed at methods of using the herein described compounds and compositions for treating or preventing a disorder or condition that can be treated or prevented by antagonizing the CCR1 receptor in a mammal.

  本发明涉及公式I1的化合物及其药学上可接受的形式；其中X、Y、a、b、c、d、R1、R2、R3、R4和R5如本文所定义。此外，本发明还涉及包含公式I的化合物和药学上可接受的载体的药物组合物。此外，本发明还涉及使用本文所述的化合物和组合物治疗或预防哺乳动物中可通过拮抗CCR1受体治疗或预防的疾病或状况的方法。
• SS-AMINO ACID DERIVATIVE, KINASE INHIBITOR AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, AND USE OF THE SAME
  申请人：Industrial Technology Research Institute

  公开号：EP3845276A1

  公开（公告）日：2021-07-07

  A compound represented by Formula (I), a pharmaceutically acceptable salt or ester, hydrate, solvate or crystalline form thereof is provided: The compound represented by Formula (I) is a β-amino acid derivative, and in Formula (I): X is a single bond or O; Y is NH or C=O; Z is C=O, C=S, NH, W is C or N; A is a single bond, O, OH, OCH2, a heterocycle or N3; R1 is H or F; R2 is H, F, OH, CF3, CH2OH, CHO or ; R3 is H; n is 0 or 1; and m is 0 or 1.

  提供由Formula（I）表示的化合物，其为药用盐或酯，水合物，溶剂合物或结晶形式：Formula（I）表示的化合物为β-氨基酸衍生物，在Formula（I）中：X为单键或O；Y为NH或C=O；Z为C=O，C=S，NH，W为C或N；A为单键，O，OH，OCH2，杂环或N3；R1为H或F；R2为H，F，OH，CF3，CH2OH，CHO或；R3为H；n为0或1；m为0或1。
• Metal-Templated Assembly of Cyclopropane-Fused Diazepanones and Diazecanones via <i>exo</i>-<i>trig</i> Nucleophilic Cyclization of Cyclopropenes with Tethered Carbamates
  作者：Vladimir A. Maslivetc、Liliya V. Frolova、Snezna Rogelj、Anna A. Maslivetc、Marina Rubina、Michael Rubin

  DOI：10.1021/acs.joc.8b02062

  日期：2018.11.16

  A strain-release-driven, cation-templated nucleophilic 7- and 8-exo-trig-cyclization of tethered Boc-protected amines to cyclopropenes is described. The featured reaction proceeds in diastereo- and regioselective fashion and allows for preparation of the corresponding 2,5-diazabicyclo[5.1.0]octan-6-ones and 2,6-diazabicyclo[6.1.0]nonan-7-ones as sole products in high yields. Preliminary studies on

  描述了由束缚的Boc保护的胺到环丙烯的应变释放驱动的，阳离子模板的亲核7-和8 -exo- trig-环化。该特征反应以非对映和区域选择性方式进行，并允许制备相应的2,5-二氮杂双环[5.1.0]辛-6-酮和2,6-二氮杂双环[6.1.0]壬南-7-酮为唯一化合物。产品高产。对这些新颖的环丙烷融合培养基杂环的抗癌活性进行了初步研究。
• COMPOUNDS FOR INHIBITING AGC KINASE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME
  申请人：Industrial Technology Research Institute

  公开号：US20190194137A1

  公开（公告）日：2019-06-27

  A compound of formula (I) or a pharmaceutically acceptable salt thereof is provided. In formula (I), Ar is indazole, 5-isoquinoline, 6-isoquinoline, or their N-oxide. X is —C(═Z)—, wherein Z is N—CN, NH, NR 4 , NCOR 4 , NCONR 4 R 5 , NCO-aryl, S, or O. Y and J are independently H, alkyl, aryl, aminoalkyl, —NH 2 , —CN, —OH, —O-alkyl, —O-aryl, —COOH, —COOR 4 , —CONHR 4 , —CONHCH 2 -aryl, —CONR 4 CH 2 -aryl, —NHCOR 4 , halogen, halogened alkyl, -alkyl-OR 4 , -alkyl-ONO 2 , alkyl-ONO 2 , —OCOOR 4 , —O(C═O)-aryl, —CHR 4 OH, —CH 2 OH, —CH 2 O(C═O)-aryl, —CH 2 O(C═O)—R 4 , —CHR 4 O(C═O)-aryl, —CHR 4 O(C═O)—R 4 , unsaturated carboxylic ester, substituted alkynyl, —NHSO 2 R 4 , —SO 2 R 4 , —SO 2 NHR 4 , or —SO 2 NR 4 R 5 , or Y and J bond together to form a carbocylic or aromatic ring, wherein R 4 and R 5 are independently H, substituted C1-C6 alkyl, substituted aryl, cycloalkyl, alkylaryl, -alkyl-NR 6 R 7 , —S(O) 0-2 -(alkyl-NR 6 R 7 ). R 1 , R 2 and R 3 are H, C1-C6 alkyl, cycloalkyl, aryl, alkylaryl, alkylheteroaryl, alkylheterocycle, wherein any one thereof is optionally substituted with one or more of OH, NO 2 , or NR 8 R 9 .

  提供公式(I)的化合物或其药用盐。在公式(I)中，Ar是吲唑，5-异喹啉，6-异喹啉或它们的N-氧化物。X为—C(═Z)—，其中Z为N—CN，NH，NR4，NCOR4，NCONR4R5，NCO-芳基，S或O。Y和J独立地为H，烷基，芳基，氨基烷基，—NH2，—CN，—OH，—O-烷基，—O-芳基，—COOH，—COOR4，—CONHR4，—CONHCH2-芳基，—CONR4CH2-芳基，—NHCOR4，卤素，卤代烷基，-烷基-OR4，-烷基-ONO2，烷基-ONO2，—OCOOR4，—O(C═O)-芳基，—CHR4OH，—CH2OH，—CH2O(C═O)-芳基，—CH2O(C═O)—R4，—CHR4O(C═O)-芳基，—CHR4O(C═O)—R4，不饱和羧酸酯，取代炔烃基，—NHSO2R4，—SO2R4，—SO2NHR4或—SO2NR4R5，或Y和J结合在一起形成环，其中R4和R5独立地为H，取代的C1-C6烷基，取代的芳基，环烷基，烷基芳基，-烷基-NR6R7，—S(O)0-2-(烷基-NR6R7)。R1，R2和R3为H，C1-C6烷基，环烷基，芳基，烷基芳基，烷基杂芳基，烷基杂环，其中任意一个可以选择地取代一个或多个OH，NO2或NR8R9。
• Novel piperazine derivatives
  申请人：——

  公开号：US20040034034A1

  公开（公告）日：2004-02-19

  The present invention relates to compounds of the formula I 1 and the pharmaceutically acceptable forms thereof; wherein X, Y, a, b, c, d, R 1 , R 2 , R 3 , R 4 and R 5 are as defined herein. Moreover, the present invention is also directed at pharmaceutical compositions comprising a compound of the formula I and a pharmaceutically acceptable carrier. Furthermore, the present invention is directed at methods of using the herein described compounds and compositions for treating or preventing a disorder or condition that can be treated or prevented by antagonizing the CCR1 receptor in a mammal.

  本发明涉及公式I1的化合物及其药学上可接受的形式；其中X、Y、a、b、c、d、R1、R2、R3、R4和R5的定义如本文所述。此外，本发明还涉及包含公式I的化合物和药学上可接受的载体的制药组合物。此外，本发明还涉及使用上述化合物和组合物治疗或预防哺乳动物中可以通过拮抗CCR1受体来治疗或预防的疾病或症状的方法。