1-boc-3-(1-苯基乙基氨基)哌啶-4-羧酸乙酯 | 1016259-54-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 1-boc-3-(1-苯基乙基氨基)哌啶-4-羧酸乙酯
• 中文别名: 1-Boc-3-(1-苯基乙基氨基)哌啶-4-甲酸乙酯
• 英文名称: ethyl 1-(tert-butoxycarbonyl)-3-{[1-phenylethyl]amino}piperidine-4-carboxylate
• 英文别名: Ethyl 1-Boc-3-(1-phenylethylamino)piperidine-4-carboxylate；1-O-tert-butyl 4-O-ethyl 3-(1-phenylethylamino)piperidine-1,4-dicarboxylate
• CAS: 1016259-54-3
• 化学式: C₂₁H₃₂N₂O₄
• 分子量: 376.496
• InChiKey: MEQUVEFMYQSDPZ-UHFFFAOYSA-N

物化性质

• 沸点：
  465.4±45.0 °C(Predicted)
• 密度：
  1.11±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  27
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  67.9
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 海关编码：
  2933399090

反应信息

• 作为产物：
  描述：

  二碳酸二叔丁酯 在 cobalt(II) chloride hexahydrate 、 palladium 10% on activated carbon 、 氢气 、 (±)-2,2 '-二(二-对甲苯基膦)-1,1 '-联萘 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 5.0h， 生成 1-boc-3-(1-苯基乙基氨基)哌啶-4-羧酸乙酯
  参考文献：
  名称：

  A Novel Asymmetric Synthesis of cis-(3R,4R)-N-(tert-Butoxycarbonyl)-4-methyl-3-(methylamino)piperidine

  摘要：

  cis-(3R,4R)-N-(叔丁氧羰基)-4-甲基-3-(甲氨基)哌啶是合成 CP-690550（一种有效的蛋白激酶抑制剂）的关键中间体，通过不对称反应制备该方法以1-苄基-3-氧代哌啶-4-甲酸乙酯盐酸盐为原料，总收率为49%。合成过程中温和的条件和高产率表明该路线具有潜在的工业应用前景。

  DOI：

  10.1055/s-0030-1259963

文献信息

• Substituted diazabicycloalkane derivatives
  申请人：Basha Anwer

  公开号：US20050101602A1

  公开（公告）日：2005-05-12

  Compounds of formula (I) Z-Ar 1 —Ar 2 (I) wherein Z is a diazabicyclic amine, Ar 1 is a 5- or 6-membered aromatic ring, and Ar 2 is selected from the group consisting of an unsubstituted or substituted 5- or 6-membered heteroaryl ring; unsubstituted or substituted bicyclic heteroaryl ring; 3,4-(methylenedioxy)phenyl; carbazolyl; tetrahydrocarbazolyl; naphthyl; and phenyl; wherein the phenyl is substituted with 0, 1, 2, or 3 substituents in the meta- or para-positions. The compounds are useful in treating conditions or disorders prevented by or ameliorated by α7 nAChR ligands. Also disclosed are pharmaceutical compositions comprising compounds of formula (I) and methods for using such compounds and compositions.

  式(I)的化合物 Z-Ar 1 —Ar 2 (I) 其中Z是一种二氮杂双环胺，Ar 1 是一个5-或6-成员芳香环，Ar 2 选自未取代或取代的5-或6-成员杂芳基环；未取代或取代的双环杂芳基环；3,4-(亚甲二氧基)苯基；咔唑基；四氢咔唑基；萘基；和苯基；其中苯基在间位或对位上取代有0、1、2或3个取代基。这些化合物在治疗由α7 nAChR配体预防或改善的病症或紊乱中有用。还公开了包含式(I)的化合物的药物组合物以及使用这些化合物和组合物的方法。
• Substituted diazabicycloakane derivatives
  申请人：Basha Anwer

  公开号：US20050065178A1

  公开（公告）日：2005-03-24

  Compounds of formula (I) Z-Ar 1 —Ar 2 (I) wherein Z is a diazabicyclic amine, Ar 1 is a 5- or 6-membered aromatic ring, and Ar 2 is selected from an unsubstituted or substituted 5-membered heteroaryl ring; an unsubstituted or substituted 6-membered heteroaryl ring; 3,4-(methylenedioxy)phenyl; and phenyl substituted with 0, 1, 2, or 3 substituents in the meta- or para-positions. The compounds are useful in treating conditions or disorders prevented by or ameliorated by α7 nAChR ligands. Also disclosed are pharmaceutical compositions comprising compounds of formula (I) and methods for using such compounds and compositions.

  式(I)的化合物 Z-Ar 1 —Ar 2 (I) 其中Z是一种二氮杂双环胺，Ar 1 是一个5-或6-成员芳香环，Ar 2 从未取代或取代的5-成员杂芳基环；一个未取代或取代的6-成员杂芳基环；3,4-(亚甲二氧基)苯基；和苯基在间位或对位上取代有0、1、2或3个取代基。这些化合物在治疗由α7 nAChR配体预防或改善的病症或紊乱方面是有用的。还公开了包括式(I)的化合物的药物组合物以及使用这些化合物和组合物的方法。
• N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity
  申请人：——

  公开号：US20040058961A1

  公开（公告）日：2004-03-25

  The present application describes modulators of CCR3 of formula (I): 1 or pharmaceutically acceptable salt forms thereof, useful for the prevention of asthma and other allergic diseases.

  本申请描述了CCR3的调节剂，其化学式为(I):1或其药学上可接受的盐形式，适用于预防哮喘和其他过敏性疾病。
• Substituted Diazabicycloalkane Derivates
  申请人：Frost Jennifer M.

  公开号：US20080275048A1

  公开（公告）日：2008-11-06

  Compounds of formula (I) Z-Ar 1 —Ar 2 (I) wherein Z is a diazabicyclic amine, Ar 1 is a 5- or 6-membered aromatic ring, and Ar 2 is selected from the group consisting of an unsubstituted or substituted 5- or 6-membered heteroaryl ring; unsubstituted or substituted bicyclic heteroaryl ring; 3,4-(methylenedioxy)phenyl; carbazolyl; tetrahydrocarbazolyl; naphthyl; and phenyl; wherein the phenyl is substituted with 0, 1, 2, or 3 substituents in the meta- or para-positions. The compounds are useful in treating conditions or disorders prevented by or ameliorated by α7 nAChR ligands. Also disclosed are pharmaceutical compositions comprising compounds of formula (I) and methods for using such compounds and compositions.

  化合物的公式为（I）Z-Ar1—Ar2（I），其中Z是一种二氮杂双环胺，Ar1是一种5或6成员芳香环，而Ar2则选自未取代或取代的5或6成员杂芳基环；未取代或取代的双环杂芳基环；3,4-（亚甲氧基）苯基；咔唑基；四氢咔唑基；萘基；和苯基；其中苯基在间位或对位上取代有0、1、2或3个取代基。这些化合物在治疗由α7 nAChR配体预防或改善的疾病或疾病方面是有用的。此外，还披露了包含公式（I）化合物的制药组合物以及使用这些化合物和组合物的方法。
• HETEROCYCLIC-CARBONYL-DIAZABICYCLOALKANES AS MODULATORS OF THE NEURONAL NICOTINIC ACETYLCHOLINE ALPHA 4 BETA 2, SUBTYPE RECEPTOR FOR THE TREATMENT OF CNS RELATED DISORDERS
  申请人：Hammond Philip S.

  公开号：US20100144700A1

  公开（公告）日：2010-06-10

  A compound of Formula 1: A-C(O)-Cy, wherein A is a diazabicyclic core, containing 7, 8, or 9 ring atoms, and selected from the following: 2,6-diazabicyclo[3.2.0]heptane; 3,6-diazabicyclo[3.ZO]heptane; 2,7-diazabicyclo[4.2.0]octane; 3,7-diazabicyclo[4.2.0]octane; 3,8-diazabicyclo[4.2.0]octane; 2,7-diazabicyclo[3.3.0]octane; 2,7-diazbicyclo[4.3.0]nonane; 2,8-diazbicyclo[4.3.0]nonane; 3,7-diazabicyclo[4.3.0]nonane; 3,8-diazabicyclo[4.3.0]nonane; 3,9-diazabicyclo[4.3.0]nonane; 2,6-diazabicyclo[3.2.1]octane; 3,6-diazabicyclo[3.2.1]octane; wherein the diazabicycle is attached as a radical to the depicted carbonyl via either one of the two ring nitrogen atoms, such that the carbonyl forms an amide bond with the ring nitrogen; Cy is a heteroaryl group; The compounds exhibit selectivity for, and bind with high affinity to, neuronal nicotinic receptors of the α402 subtype in the central nervous system (CNS). The compounds and compositions can be used to treat and/or prevent a wide variety of conditions or disorders, particularly CNS disorders. The compounds are believed to: (i) alter the number of nicotinic cholinergic receptors of the brain of the patient, (ii) exhibit neuroprotective effects, and (iii) when employed in effective amounts, not result in appreciable adverse side effects, namely side effects such as significant Increases in blood pressure and heart rate, significant negative effects upon the gastrointestinal tract, and significant effects upon skeletal muscle.

  化合物的化学式为1：A-C（O）-Cy，其中A是一种含有7、8或9个环原子的二氮杂双环核，可从以下选择：2,6-二氮杂双环[3.2.0]庚烷；3,6-二氮杂双环[3.ZO]庚烷；2,7-二氮杂双环[4.2.0]辛烷；3,7-二氮杂双环[4.2.0]辛烷；3,8-二氮杂双环[4.2.0]辛烷；2,7-二氮杂双环[3.3.0]辛烷；2,7-二氮杂双环[4.3.0]壬烷；2,8-二氮杂双环[4.3.0]壬烷；3,7-二氮杂双环[4.3.0]壬烷；3,8-二氮杂双环[4.3.0]壬烷；3,9-二氮杂双环[4.3.0]壬烷；2,6-二氮杂双环[3.2.1]辛烷；3,6-二氮杂双环[3.2.1]辛烷；其中二氮杂双环通过两个环氮原子之一作为基团连接到所示的羰基上，使羰基与环氮形成酰胺键；Cy是一个杂环芳基基团；这些化合物表现出对中枢神经系统（CNS）的α402亚型的神经元乙酰胆碱受体的选择性和高亲和力。这些化合物和组合物可用于治疗和/或预防各种疾病或疾病，特别是CNS疾病。这些化合物被认为：（i）改变患者的大脑中乙酰胆碱能受体的数量，（ii）表现出神经保护作用，（iii）当以有效剂量使用时，不会产生明显的不良副作用，即明显的血压和心率升高，对胃肠道的明显负面影响以及对骨骼肌的明显影响。