1-苄基-4-甲基吡咯烷-3-甲腈 | 115687-24-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-苄基-4-甲基吡咯烷-3-甲腈
• 英文名称: 1-benzyl-4-methylpyrrolidine-3-carbonitrile
• CAS: 115687-24-6
• 化学式: C₁₃H₁₆N₂
• 分子量: 200.283
• InChiKey: SNGFETKZDQWILI-UHFFFAOYSA-N

物化性质

• 沸点：
  320.1±35.0 °C(Predicted)
• 密度：
  1.06±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  27
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-苄基-4-甲基吡咯烷-3-甲腈 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 以39%的产率得到(1-benzyl-4-methylpyrrolidin-3-yl)methanamine
  参考文献：
  名称：

  [EN] FURO[3,2-d]PYRIMIDINE COMPOUNDS
  [FR] COMPOSÉS DE FURO[3,2-D]PYRIMIDINE

  摘要：

  本发明涉及式(I)的新化合物、药用可接受的盐、生物活性代谢物、前药、外消旋混合物、对映异构体、非对映异构体、溶剂合物和水合物，其中变量如本文所述定义。式(I)的化合物作为激酶抑制剂是有用的，因此可用于治疗某些状况和疾病，特别是炎症状况和疾病以及增殖性障碍和状况，例如癌症。

  公开号：

  WO2012048222A1
• 作为产物：
  描述：

  氰化四丁基铵 在 甲基磺酰氯 、 三乙胺 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 8.0h， 生成 1-苄基-4-甲基吡咯烷-3-甲腈
  参考文献：
  名称：

  7-(4-SUBSTITUTED 3- CYCLOPROPYLAMINOMETHYL-1- PYRROLIDINYL) Q UINOLONECARBOXYLIC ACID DERIVATIVE

  摘要：

  公开号：

  EP1666477B1

文献信息

• 10-(3-cyclopropylaminomethyl-1-pyrrolidinyl)pyridobenzoxazinecarboxylic acid derivative effective against resistant bacterium
  申请人：Asahina Yoshikazu

  公开号：US20050182052A1

  公开（公告）日：2005-08-18

  A compound as represented by the general formula (I) shown below exhibits high antibacterial activity against gram-positive bacteria, in particular, such drug-resistant bacteria as mRNA, PRSP and VRE: wherein R1 is a methyl group, a fluoromethyl group, a methoxymethyl group, an acetoxymethyl group, a hydroxymethyl group or a methylene; R2 is a hydrogen atom, a lower alkyl group having 1 to 3 carbon atoms, or a pharmaceutically acceptable cation and an ester of a prodrug; R3 is a hydrogen atom or a halogen atom; R4 is a hydrogen atom, a lower alkyl group having 1 to 3 carbon atoms, a fluoromethyl group, a trifluoromethyl group or a fluorine atom; and R5 is a hydrogen atom or a fluorine atom, with exceptions where R1 is a methyl group, R4 and R5 are at the same time a hydrogen atom, and R3 is a fluorine atom.

  下列通式（I）所代表的化合物对革兰氏阳性细菌表现出高度的抗菌活性，特别是对那些耐药菌如mRNA、PRSP和VRE： 其中，R1是甲基、氟甲基、甲氧甲基、乙酰氧甲基、羟甲基或亚甲基；R2是氢原子、具有1至3个碳原子的低烷基或药学上可接受的阳离子和前药的酯；R3是氢原子或卤素原子；R4是氢原子、具有1至3个碳原子的低烷基、氟甲基、三氟甲基或氟原子；R5是氢原子或氟原子，除非R1是甲基、R4和R5同时为氢原子，且R3是氟原子的情况。
• 7-(4-Substituted-3-cyclopropylaminomethyl-1 pyrrolidinyl) quinolonecarboxylic acid derivative
  申请人：Asahina Yoshikazu

  公开号：US20060281779A1

  公开（公告）日：2006-12-14

  OBJECT To provide novel quinolonecarboxylic acid compounds serving as safe, strong antibacterial agents that are effective against drug-resistant bacteria that are less susceptible to conventional antibacterial agents. SOLVING MEANS There are provided 7-(4-substituted-3-cyclopropylaminomethylpyrrolidinyl)quinolonecarboxylic acid derivatives (such as 1-cyclopropyl-7-[(3S,4S)-3-cyclopropylaminomethyl-4-fluoro-1-pyrrolidinyl]-6-fluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid) that exhibit strong antibacterial activity against gram-positive bacteria, such as MRSA, PRSP and VRE, while being safe. The compounds are shown by the following general formula (I):

  目的：提供新型喹诺酮羧酸化合物，作为安全、强效的抗菌剂，对耐药菌有良好的抗菌效果，而且对传统抗菌剂的抗性较低。 解决方法：提供7-(4-取代的3-环丙氨甲基吡咯烷基)喹诺酮羧酸衍生物（例如1-环丙基-7-[(3S,4S)-3-环丙氨甲基-4-氟-1-吡咯烷基]-6-氟-1,4-二氢-8-甲氧基-4-氧代-3-喹啉羧酸），对革兰氏阳性菌（如MRSA、PRSP和VRE）表现出强效的抗菌活性，同时具有安全性。这些化合物的通用式如下（I）：
• FURO[3,2-d]PYRIMIDINE COMPOUNDS
  申请人：Calderwood David J.

  公开号：US20120122846A1

  公开（公告）日：2012-05-17

  The present invention is directed to novel compounds of Formula (I) pharmaceutically acceptable salts, biologically active metabolites, pro-drugs, racemates, enantiomers, diastereomers, solvates and hydrates thereof wherein the variables are defined as herein. The compounds of Formula (I) are useful as kinase inhibitors and as such would be useful in treating certain conditions and diseases, especially inflammatory conditions and diseases and proliferative disorders and conditions, for example, cancers.

  本发明涉及一种新的化合物，其化学式为(I)，包括药学上可接受的盐、生物活性代谢物、前药、外消旋体、对映体、非对映异构体、溶剂化物和水合物，其中变量的定义如本文所述。化合物(I)可用作激酶抑制剂，因此可用于治疗某些疾病和病症，特别是炎症性疾病和增殖性疾病和病症，例如癌症。
• Furo[3,2-d]pyrimidine compounds
  申请人：Calderwood David J.

  公开号：US08551981B2

  公开（公告）日：2013-10-08

  The present invention is directed to novel compounds of Formula (I) pharmaceutically acceptable salts, biologically active metabolites, pro-drugs, racemates, enantiomers, diastereomers, solvates and hydrates thereof wherein the variables are defined as herein. The compounds of Formula (I) are useful as kinase inhibitors and as such would be useful in treating certain conditions and diseases, especially inflammatory conditions and diseases and proliferative disorders and conditions, for example, cancers.

  本发明涉及公式（I）的新化合物，其药学上可接受的盐，生物活性代谢物，前药，外消旋体，对映体，非对映体，溶剂化物和水合物，其中变量如本文所定义。公式（I）的化合物可用作激酶抑制剂，因此可用于治疗某些疾病和病症，特别是炎症性疾病和疾病以及增生性疾病和病症，例如癌症。
• 7- (4-substituted-3-cyclopropylaminomethyl-1-pyrrolidinyl) quinolonecarboxylic acid derivative technical field
  申请人：Asahina Yoshikazu

  公开号：US20090176824A1

  公开（公告）日：2009-07-09

  Object To provide novel quinolonecarboxylic acid compounds serving as safe, strong antibacterial agents that are effective against drug-resistant bacteria that are less susceptible to conventional antibacterial agents. Solving Means There are provided 7-(4-substituted-3-cyclopropylaminomethylpyrrolidinyl)quinolonecarboxylic acid derivatives (such as 1-cyclopropyl-7-[(3S,4S)-3-cyclopropylaminomethyl-4-fluoro-1-pyrrolidinyl]-6-fluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid) that exhibit strong antibacterial activity against gram-positive bacteria, such as MRSA, PRSP and VRE, while being safe. The compounds are shown by the following general formula (I):

  目标 提供新型喹诺酸类化合物，作为安全、强效的抗菌剂，对耐药菌有良好的抗菌效果，对传统抗菌剂不敏感。 解决方法 提供7-(4-取代-3-环丙氨甲基吡咯烷基)喹诺酸衍生物（如1-环丙基-7-[(3S,4S)-3-环丙氨甲基-4-氟-1-吡咯烷基]-6-氟-1,4-二氢-8-甲氧基-4-氧代-3-喹啉羧酸），对革兰阳性菌有强效的抗菌活性，如MRSA、PRSP和VRE，同时具有安全性。这些化合物的一般式如下（I）：