N-tert-butoxycarbonyl-4-benzyloxycarbonylamino-4-methoxymethylpiperidine

• 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: N-tert-butoxycarbonyl-4-benzyloxycarbonylamino-4-methoxymethylpiperidine
• 英文别名: 4-benzyloxycarbonylamino-4-methoxymethylpiperidine-1-carboxylic acid tert-butyl ester；tert-butyl 4-(methoxymethyl)-4-(phenylmethoxycarbonylamino)piperidine-1-carboxylate
• 化学式: C₂₀H₃₀N₂O₅
• 分子量: 378.469
• InChiKey: ASTQIENZCFTPMM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  27
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  77.1
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-tert-butoxycarbonyl-4-benzyloxycarbonylamino-4-methoxymethylpiperidine 在 盐酸 、 水 作用下， 以 1,4-二氧六环 为溶剂， 生成 (4-methoxymethyl piperidin-4-yl)carbamic acid benzyl ester
  参考文献：
  名称：

  [EN] NOVEL DERIVATIVES OF ACYL CYANOPYRROLIDINES
  [FR] NOUVEAUX DÉRIVÉS D'ACYLE CYANOPYRROLIDINES

  摘要：

  公开号：

  WO2009116067A3
• 作为产物：
  描述：

  1-tert-butyl 4-ethyl 4-(methoxymethyl)piperidine-1,4-dicarboxylate 在 叠氮磷酸二苯酯 、 水 、 三乙胺 、 sodium hydroxide 作用下， 以 甲醇 、 甲苯 为溶剂， 反应 22.75h， 生成 N-tert-butoxycarbonyl-4-benzyloxycarbonylamino-4-methoxymethylpiperidine
  参考文献：
  名称：

  [EN] NOVEL DERIVATIVES OF ACYL CYANOPYRROLIDINES
  [FR] NOUVEAUX DÉRIVÉS D'ACYLE CYANOPYRROLIDINES

  摘要：

  公开号：

  WO2009116067A3

文献信息

• Nitrogenous five-membered ring compounds
  申请人：Yasuda Kosuke

  公开号：US20050054678A1

  公开（公告）日：2005-03-10

  The present invention is to provide an aliphatic nitrogen-containing 5-membered ring compound represented by the formula [I]: wherein symbols in the formula have the following meanings; A: —CH 2 — or —S—, B: CH or N, R 1 : H, a lower alkyl group, etc., X: a single bonding arm, —CO—, -Alk-CO—, —COCH 2 —, -Alk-O—, —O—CH 2 —, —SO 2 —, —S—, —COO—, —CON(R 3 )—, -Alk-CON(R 3 )—, —CON(R 3 )CH 2 —, —NHCH 2 —, etc., R 3 : hydrogen atom or a lower alkyl group, Alk: a lower alkylene group, and R 2 : (1) a cyclic group which may be substituted, (2) a substituted amino group, etc., provided that when X is —CO—, then B is N, or a pharmaceutically acceptable salt thereof.

  本发明提供了一种脂肪族含氮5元环化合物，其化学式为[I]，其中式中符号的含义如下：A：—CH2—或—S—，B：CH或N，R1：H、低碳基等，X：单键臂，—CO—、-Alk-CO—、—COCH2—、-Alk-O—、—O—CH2—、—SO2—、—S—、—COO—、—CON(R3)—、-Alk-CON(R3)—、—CON(R3)CH2—、—NHCH2—等，R3：氢原子或低碳基，Alk：低碳亚基，R2：(1)可能被取代的环状基团，(2)取代的氨基团等，但当X是—CO—时，B为N，或其药学上可接受的盐。
• Nitrogenous 5-membered ring compounds
  申请人：Tanabe Seiyaku Co., Ltd.

  公开号：US07138397B2

  公开（公告）日：2006-11-21

  The present invention is to provide an aliphatic nitrogen-containing 5-membered ring compound represented by the formula [I]: wherein symbols in the formula have the following meanings; A: —CH2— or —S—, B: CH or N, R1: H, a lower alkyl group, etc., X: a single bonding arm, —CO—, -Alk-CO—, —COCH2—, -Alk-O—, —O—CH2—, —SO2—, —S—, —COO—, —CON(R3)—, -Alk-CON(R3)—, —CON(R3)CH2—, —NHCH2—, etc., R3: hydrogen atom or a lower alkyl group, Alk: a lower alkylene group, and R2: (1) a cyclic group which may be substituted, (2) a substituted amino group, etc., provided that when X is —CO—, then B is N, or a pharmaceutically acceptable salt thereof.

  本发明提供了一种由公式 [I] 表示的脂肪族含氮五元环化合物，其中公式中的符号具有以下含义：A：—CH2—或—S—，B：CH或N，R1：H、低碳基等，X：单键臂、—CO—、-Alk-CO—、—COCH2—、-Alk-O—、—O—CH2—、—SO2—、—S—、—COO—、—CON(R3)—、-Alk-CON(R3)—、—CON(R3)CH2—、—NHCH2—等，R3：氢原子或低碳基，Alk：低碳亚基，R2：（1）可以被取代的环状基团，（2）取代的氨基基团等，但当X为—CO—时，则B为N，或其药学上可接受的盐。
• Nitrogen-containing 5-membered ring compound
  申请人：Yasuda Kosuke

  公开号：US20060241146A1

  公开（公告）日：2006-10-26

  The present invention is to provide an aliphatic nitrogen-containing 5-membered ring compound represented by the formula [I]: wherein symbols in the formula have the following meanings; A: —CH 2 — or —S—, B: CH or N, R 1 H, a lower alkyl group, etc., X: a single bonding arm, —CO—, —Alk—CO—, —COCH 2 —, —Alk—O—, —O—CH 2 —, —SO 2 —, —S—, —COO—, —CON(R 3 )—, —Alk—CON(R 3 )—, —CON(R 3 )CH 2 —, —NHCH 2 —, etc., R 3 : hydrogen atom or a lower alkyl group, Alk: a lower alkylene group,,and. R 2 : (1) a cyclic group which may be substituted, (2) a substituted amino group, etc., provided that when X is —CO—, then B is N, or a pharmaceutically acceptable salt thereof.

  本发明提供一种脂肪族含氮5元环化合物，其化学式表示为[I]，其中式中符号的含义如下：A：—CH2—或—S—，B：CH或N，R1：H、低碳烷基等，X：单键臂、—CO—、—Alk—CO—、—COCH2—、—Alk—O—、—O—CH2—、—SO2—、—S—、—COO—、—CON(R3)—、—Alk—CON(R3)—、—CON(R3)CH2—、—NHCH2—等，R3：氢原子或低碳烷基，Alk：低碳烷基，R2：（1）可取代的环状基团，（2）取代的氨基基团等，但当X为—CO—时，B为N，或其药学上可接受的盐。
• NOVEL DERIVATIVES OF ACYL CYANOPYRROLIDINES
  申请人：Akolkar Nakul Pramod

  公开号：US20120040897A1

  公开（公告）日：2012-02-16

  A compound of formula (I) or a tautomeric form, regioisomer, stereoisomer, solvate, N-oxide or pharmaceutically acceptable salts thereof; wherein ‘a’—is selected from the group consisting of substituted or unsubstituted heterocycloalkyl ring and substituted or unsubstituted carbohydrate moiety y is a member selected from —O—, —CO—, —S02-, aminoalkyl or formula (II) wherein, R w is hydrogen, substituted or unsubstituted alkyl, alkenyl, alkynyl, cycloalkyl, aryl, heteroaryl; x is a member selected from -0-, —S—, —SO—, —S02-, CONR10, NR10CO and —NR d —, or x and y together represent a chemical bond; Z is selected from —CH—, —N—. t is an integer selected from O to 4; with the provisos that when ‘a’ is substituted or unsubstituted heterocycloalkyl ring then ‘t’ is not O and when y=—CO—, x is not NR d .

  化合物的公式（I）或其互变异构体，区域异构体，立体异构体，溶剂化物，N-氧化物或其药学上可接受的盐；其中，‘a’选择自取代或未取代的杂环烷基环或取代或未取代的碳水化合物基团，y为成员选择自—O—，—CO—，—S02-，氨基烷基或公式（II）其中，Rw为氢，取代或未取代的烷基，烯基，炔基，环烷基，芳基，杂环芳基；x为成员选择自-0-，—S—，—SO—，—S02-，CONR10，NR10CO和—NRd—，或x和y一起表示化学键；Z选择自—CH—，—N—。 t为整数，选择自0到4；条件是当‘a’为取代或未取代的杂环烷基环时，‘t’不为0，当y=—CO—时，x不为NRd。
• NITROGENOUS FIVE-MEMBERED RING COMPOUNDS
  申请人：Mitsubishi Tanabe Pharma Corporation

  公开号：EP1323710B1

  公开（公告）日：2008-09-10