(4S,1'R)-1-(1'-phenylethyl)-4-hydroxymethylpyrrolidin-2-one | 215183-32-7

• 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: (4S,1'R)-1-(1'-phenylethyl)-4-hydroxymethylpyrrolidin-2-one
• 英文别名: (4S)-4-(hydroxymethyl)-1-[(1R)-phenylethyl]pyrrolidin-2-one；(S)-4-(hydroxyMethyl)-1-((R)-1-phenylethyl)pyrrolidin-2-one；(4S)-4-(hydroxymethyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
• CAS: 215183-32-7
• 化学式: C₁₃H₁₇NO₂
• 分子量: 219.283
• InChiKey: REDSEXWGKAYROX-MNOVXSKESA-N

物化性质

• 沸点：
  405.8±28.0 °C(Predicted)
• 密度：
  1.151±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  40.5
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933790090

反应信息

• 作为反应物：
  描述：

  (4S,1'R)-1-(1'-phenylethyl)-4-hydroxymethylpyrrolidin-2-one 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 7.0h， 以85%的产率得到(3S)-N-<(R)-phenylethyl>-3-(hydroxymethyl)pyrrolidine
  参考文献：
  名称：

  New Chiral 3-Naphthylaminomethylpyrroli- dines: An Unexpected Epimerisation Reaction

  摘要：

  DOI：

  10.3987/com-99-8648
• 作为产物：
  描述：

  (4S,1'R)-[1-(1'-phenylethyl)-2-oxopyrrolidin-4-yl]carboxaldehyde 在 sodium tetrahydroborate 作用下， 以 乙醇 为溶剂， 反应 3.0h， 以76%的产率得到(4S,1'R)-1-(1'-phenylethyl)-4-hydroxymethylpyrrolidin-2-one
  参考文献：
  名称：

  New Chiral 3-Naphthylaminomethylpyrroli- dines: An Unexpected Epimerisation Reaction

  摘要：

  DOI：

  10.3987/com-99-8648

文献信息

• Ester derivatives
  申请人：——

  公开号：US20030191316A1

  公开（公告）日：2003-10-09

  This invention relates to compounds which exhibit selective muscarinic M 3 receptor antagonism, have little side effects, are suitable for inhalation therapy and are useful as treating agents of respiratory system diseases, of the general formula (I); 1 [in which A signifies a group expressed by a formula (a 0 ) or (b 0 ); 2 Ar signifies optionally substituted aryl or heteroaryl; B 1 and B 2 signify aliphatic hydrocarbon; R 1 signifies fluorine-substituted cycloalkyl; R 2 , R 3 and R 4 signify lower alkyl, single bond or alkylene bonded to B 1 , or R 2 and R 3 are united to signify alkylene; R 5 and R 7 signify hydrogen, lower alkyl, or a single bond or alkylene bonded to B 2 ; R 6 signifies hydrogen, lower alkyl or a group expressed as —N(R 8 )R 9 ; and X − signifies an anion].

  这项发明涉及表现出选择性肌肉M3受体拮抗作用、副作用小、适用于吸入疗法并且可用作治疗呼吸系统疾病的治疗剂的化合物，其一般式为（I）； 其中A表示由式（a0）或（b0）表示的基团； Ar表示可选择取代的芳基或杂环芳基；B1和B2表示脂肪烃基；R1表示氟取代的环烷基；R2、R3和R4表示较低的烷基、与B1结合的单键或烷基，或者R2和R3结合表示烷基；R5和R7表示氢、较低的烷基，或者与B2结合的单键或烷基；R6表示氢、较低的烷基或表示为—N(R8)R9的基团；X-表示阴离子。
• CIS-SUBSTITUTED FLUOROMETHYLPYRROLIDINE DERIVATIVE
  申请人：——

  公开号：US20020072608A1

  公开（公告）日：2002-06-13

  An antibacterial drug having potent antibacterial activities upon various bacteria including resistant strains and high safety is disclosed, which comprises as an active ingredient, quinolone derivatives represented by the following formula (I), its salts or hydrates thereof: 1 wherein R 1 represents a hydrogen atom or an alkyl group having 1 to 6 carbon atoms, R 2 represents a halogenomethoxyl group or an alkoxyl group, R 3 represents an alkyl group, an alkenyl group, a halogenoalkyl group, a cyclic alkyl group, a heteroaryl group, an alkoxyl group or an alkylamino group, and R 4 represents a hydrogen atom, a phenyl group, an acetoxymethyl group, a pivaloyloxymethyl group, an ethoxycarbonyl group, a choline group, a dimethylaminoethyl group, a 5-indanyl group, a phthalidinyl group, a 5-alkyl-2-oxo-1,3-dioxol-4-ylmethyl group, 3-acetoxy-2-oxobutyl group, an alkyl group, an alkoxylmethyl group or a phenylalkyl group. These substituents may further have additional substituents.

  揭示了一种具有对各种细菌具有强效抗菌活性，包括耐药菌株和高安全性的抗菌药物，其包括以下式(I)所代表的喹诺酮衍生物作为活性成分，其盐或水合物：其中R1代表氢原子或具有1至6个碳原子的烷基基团，R2代表卤代甲氧基基团或烷氧基基团，R3代表烷基基团、烯基基团、卤代烷基基团、环烷基基团、杂环芳基团、烷氧基基团或烷基氨基基团，R4代表氢原子、苯基、乙酰氧甲基基团、戊二酰氧甲基基团、乙氧羰基基团、胆碱基团、二甲氨基乙基基团、5-茚基基团、邻苯二甲酰基基团、5-烷基-2-氧代-1,3-二氧杂环戊-4-基甲基基团、3-乙酰氧基-2-氧代丁基基团、烷基基团、烷氧基甲基基团或苯基烷基基团。这些取代基还可能具有额外的取代基。
• AMINO GROUP-CONTAINING PYRROLIDINONE DERIVATIVE
  申请人：Inagaki Hiroaki

  公开号：US20140187542A1

  公开（公告）日：2014-07-03

  A compound represented by the following formula (I) or a salt thereof: wherein R represents a hydrogen atom, a hydroxy group, or a halogen atom Ar 1 represents a bicyclic heterocyclic group represented by the following formula: and Ar 2 represents a bicyclic heterocyclic group represented by the following formulae:

  以下式子（I）所表示的化合物或其盐： 其中，R代表氢原子、羟基或卤素原子； Ar1代表由以下式子表示的双环杂环基团： Ar2代表由以下式子表示的双环杂环基团：
• PYRIDOBENZOXAZINE DERIVATIVE
  申请人：DAIICHI PHARMACEUTICAL CO., LTD.

  公开号：EP1712554A1

  公开（公告）日：2006-10-18

  A quinolone antimicrobial agent having potent antimicrobial activity against gram positive and gram negative bacteria and having high safety is provided. A compound represented by the following formula (1): [wherein, R1: hydrogen, alkyl, cycloalkyl, or substituted carbonyl derived from amino acid, peptide or tripeptide; R2: hydrogen, alkyl, or cycloalkyl; R3: hydrogen, amino, halogen, or alkyl; R4: hydrogen, phenyl, acetoxymethyl, pivaloyloxymethyl, ethoxycarbonyl, choline, dimethylaminoethyl, 5-indanyl, phthalidinyl, 5-alkyl-2-oxo-1,3-dioxol-4-ylmethyl, 3-acetoxy-2-oxobutyl, alkyl, alkoxymethyl, or phenylalkyl; X, X1, X2: hydrogen or halogen] or salt thereof, or a hydrate thereof; and antimicrobial agent and therapeutic agent for infections, each containing the compound, salt thereof or a hydrate thereof.

  提供了一种对革兰氏阳性和阴性细菌具有强效抗菌活性且具有高安全性的喹诺酮类抗菌剂。化合物由以下公式（1）表示：[其中，R1：氢，烷基，环烷基或由氨基酸，肽或三肽衍生的取代羰基；R2：氢，烷基或环烷基；R3：氢，氨基，卤素或烷基；R4：氢，苯基，乙酰氧甲基，季戊酰氧甲基，乙氧羰基，胆碱，二甲氨基乙基，5-茚烷基，邻酞酰亚胺基，5-烷基-2-氧代-1,3-二氧杂环戊-4-基甲基，3-乙酰氧基-2-氧代丁基，烷基，烷氧甲基或苯基烷基；X，X1，X2：氢或卤素]或其盐或其水合物；以及包含该化合物、其盐或其水合物的抗菌剂和治疗剂。
• CIS-SUBSTITUTED FLUOROMETHYLPYRROLIDINE DERIVATIVES
  申请人：DAIICHI PHARMACEUTICAL CO., LTD.

  公开号：EP0995744A1

  公开（公告）日：2000-04-26

  An antibacterial drug having potent antibacterial activities upon various bacteria including resistant strains and high safety is disclosed, which comprises as an active ingredient, quinolone derivatives represented by the following formula (I), its salts or hydrates thereof: wherein R1 represents a hydrogen atom or an alkyl group having 1 to 6 carbon atoms, R2 represents a halogenomethoxyl group or an alkoxyl group, R3 represents an alkyl group, an alkenyl group, a halogenoalkyl group, a cyclic alkyl group, a heteroaryl group, an alkoxyl group or an alkylamino group, and R4 represents a hydrogen atom, a phenyl group, an acetoxymethyl group, a pivaloyloxymethyl group, an ethoxycarbonyl group, a choline group, a dimethylaminoethyl group, a 5-indanyl group, a phthalidinyl group, a 5-alkyl-2-oxo-1,3-dioxol-4-ylmethyl group, 3-acetoxy-2-oxobutyl group, an alkyl group, an alkoxylmethyl group or a phenylalkyl group. These substituents may further have additional substituents.

  本发明公开了一种对包括耐药菌株在内的各种细菌具有强效抗菌活性且安全性高的抗菌药，其活性成分包括下式(I)代表的喹诺酮衍生物、其盐类或水合物： 其中 R1 代表氢原子或具有 1 至 6 个碳原子的烷基、 R2 代表卤代甲氧基或烷氧基、 R3 代表烷基、烯基、卤代烷基、环烷基、杂芳基、烷氧基或烷基氨基，以及 R4 代表氢原子、苯基、乙酰氧甲基、新戊酰氧甲基、乙氧基羰基、胆碱基、二甲基氨基乙基、5-茚满基、酞丁基、5-烷基-2-氧代-1,3-二氧戊环-4-基甲基、3-乙酰氧基-2-氧代丁基、烷基、烷氧基甲基或苯基烷基。这些取代基可进一步具有其他取代基。