piperidin-4-yl acetate hydrochloride | 94886-04-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: piperidin-4-yl acetate hydrochloride
• 英文别名: 4-acetoxypiperidine hydrochloride；hydrochloride of 4-acetoxy-piperidine；piperidin-4-yl acetate;hydrochloride
• CAS: 94886-04-1
• 化学式: C₇H₁₃NO₂*ClH
• mdl: MFCD08061428
• 分子量: 179.647
• InChiKey: UDSMCVVEFKCVIM-UHFFFAOYSA-N

物化性质

• 熔点：
  178-179 °C

计算性质

• 辛醇/水分配系数(LogP)：
  -0.43
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.857
• 拓扑面积：
  38.3
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  N,N'-二烯丙基-6-氯-1,3,5-三嗪-2,4-二胺 、 piperidin-4-yl acetate hydrochloride 生成 [1-[4,6-Bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl] acetate
  参考文献：
  名称：

  REGNIER, G.;DHAINAUT, A.;LAUBIE, M.;DUHAULT, J.;ROMAN, F.

  摘要：

  DOI：
• 作为产物：
  描述：

  在 1,1,2-三氯乙烷 、 10% palladium on activated carbon 、 氢气 作用下， 以 甲醇 为溶剂， 反应 1.17h， 以94%的产率得到piperidin-4-yl acetate hydrochloride
  参考文献：
  名称：

  Highly Chemoselective Pd−C Catalytic Hydrodechlorination Leading to the Highly Efficient N-Debenzylation of Benzylamines

  摘要：

  In the presence of 1,1,2-trichloroethane, a novel procedure for the Pd-C catalytic N-debenzylation of benzylamines was established. The method proceeded in a synergistic catalytic system and directly gave the products as crystal amine hydrochlorides in practically quantitative yields.

  DOI：

  10.1021/jo9007282

文献信息

• [EN] HETEROCYCLIC COMPOUNDS WITH AN ROR(GAMMA)T MODULATING ACTIVITY<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES AYANT UNE ACTIVITÉ DE MODULATION DE ROR(GAMMA)T
  申请人：TAKEDA PHARMACEUTICALS CO

  公开号：WO2018030550A1

  公开（公告）日：2018-02-15

  The present invention relates to a compound that may have an ROR(gamma)t modulating activity and can thus be useful in the treatment of cancer.

  本发明涉及一种可能具有ROR(gamma)t调节活性的化合物，因此可用于癌症治疗。
• Metallo-beta-lactamase inhibitors
  申请人：Chikauchi Ken

  公开号：US20080090825A1

  公开（公告）日：2008-04-17

  A new metallo-β-lactamase inhibitor which acts as a medicament for inhibiting the inactivation of β-lactam antibiotics and recovering anti-bacterial activities is disclosed. The maleic acid derivatives having the general formula (I) have metallo-β-lactamase inhibiting activities. It is possible to recover the anti-bacterial activities of β-lactam antibiotics against metallo-β-lactamase producing bacteria by combining the compound of the general formula (I) with β-lactam antibiotics.

  一种新的金属β-内酰胺酶抑制剂，作为一种药物用于抑制β-内酰胺类抗生素的失活并恢复抗菌活性。具有一般式（I）的马来酸衍生物具有金属β-内酰胺酶抑制活性。通过将一般式（I）的化合物与β-内酰胺类抗生素结合，可以恢复β-内酰胺酶产生细菌对β-内酰胺类抗生素的抗菌活性。
• Novel quinoxalinone derivatives
  申请人：Hirai Hiroshi

  公开号：US20060019959A1

  公开（公告）日：2006-01-26

  A quinoxalinone derivative of the formula (I): or a pharmaceutically acceptable salt or ester thereof, wherein; X is NH, S or the like; Y is O or the like; the partial structure is, for example, the formula: B 1 , B 2 , . . . , B n-1 and B n , (in which n is 4, 5 or 6) are each independently CH, N or the like; B′ 1 , B′ 2 , . . . , B′ n-1 and B′ n (in which n is 4, 5 or 6) are each independently hydrogen or the like; and R is hydrogen, lower alkyl or the like.

  公式（I）的喹喔啉酮衍生物，或其药学上可接受的盐或酯，其中：X为NH，S或类似物；Y为O或类似物；部分结构为，例如，公式：B1，B2，...，Bn-1和Bn（其中n为4，5或6）分别独立地为CH，N或类似物；B'1，B'2，...，B'n-1和B'n（其中n为4，5或6）分别独立地为氢或类似物；以及R为氢，较低的烷基或类似物。
• Acylsulfonamides as inhibitors of steroid sulfatase
  申请人：Horvath Amarylla

  公开号：US20050059712A1

  公开（公告）日：2005-03-17

  A compound of formula wherein R 1 is haloalkyl, alkenyl, phenyl, thienyl, pyridine, benzthiazolyl, chromanyl (1,2-dihydrobenzopyranyl) or (C 6-18 )aryl, and R 1 or R 2 independently of each other are substituted (C 4-8 )cycloalkyl, a substituted bridged cycloalkyl system, substituted piperidine, substituted tetrahydropyridine, or a substituted bridged heterocyclic system, useful as a pharmaceutical.

  化合物的化学式为其中R1为卤代烷基，烯基，苯基，噻吩基，吡啶基，苯并噻唑基，色基（1,2-二氢苯并吡喃基）或（C6-18）芳基，且R1或R2独立地被取代为（C4-8）环烷基，取代的桥式环烷基系统，取代的哌啶，取代的四氢吡啶或取代的桥式杂环系统，可用作药物。
• RECEPTOR ANTAGONIST
  申请人：ITOH Fumio

  公开号：US20090239839A1

  公开（公告）日：2009-09-24

  An agent for modulating the function of an RFRP receptor, characterized by containing either a compound represented by the formula (I) [wherein ring A represents an optionally substituted aromatic ring; ring B represents an optionally substituted benzene ring; X represents oxygen, S(O) n (n is an integer of 0 to 2), or NR 3 (R 3 represents hydrogen, an optionally substituted hydrocarbon group, or an optionally substituted heterocyclic group); and R 1 and R 2 each represents hydrogen, an optionally substituted hydrocarbon group, or an optionally substituted heterocyclic group] or a salt of the compound.

  一种调节RFRP受体功能的药剂，其特征在于含有下列化合物之一或其盐：式(I)（其中环A代表可选取代的芳香环；环B代表可选取代的苯环；X代表氧、S（O）n（n是0至2的整数）或NR3（R3代表氢、可选取代的碳氢基团或可选取代的杂环基团）；R1和R2分别代表氢、可选取代的碳氢基团或可选取代的杂环基团）。