2-Benzyl-3-formylpropanoic acid | 96686-58-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: 2-Benzyl-3-formylpropanoic acid
• 英文别名: 2-benzyl-4-oxobutanoic acid
• CAS: 96686-58-7
• 化学式: C₁₁H₁₂O₃
• 分子量: 192.21
• InChiKey: FMPDYTBIHKGIDR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• 6-0-carbamoyl ketolide antibacterials
  申请人：——

  公开号：US20020115620A1

  公开（公告）日：2002-08-22

  6-O-Carbamoyl ketolide antibacterials of the formula: 1 wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , X, X′, Y, and Y′ are as described herein and in which the substituents have the meaning indicated in the description. These compounds are useful as antibacterial agents.

  其中R1、R2、R3、R4、R5、R6、X、X'、Y和Y'如本文所述，并且其中取代基具有描述中指示的含义。这些化合物可用作抗菌剂。
• [EN] SYNTHESIS OF DEUTERATED ALDEHYDES<br/>[FR] SYNTHÈSE D'ALDÉHYDES DEUTÉRÉS
  申请人：UNIV ARIZONA

  公开号：WO2021045879A1

  公开（公告）日：2021-03-11

  Described are methods for preparing a deuterated aldehyde using N-heterocyclic carbene catalysts in a solvent comprising D2O. The methods may be used to convert a wide variety of aldehydes (e.g., aryl, alkyl, or alkenyl aldehydes) to C-1 deuterated aldehydes under mild reaction conditions without functionality manipulation.

  描述了使用包含重水(D2O)的溶剂中的N-杂环卡宾催化剂来制备氘代乙醛的方法。这些方法可以在温和的反应条件下，不改变功能团的情况下，将各种乙醛（例如，芳香醛、脂肪醛或不饱和脂肪醛）转化为C-1位置氘代的乙醛。
• Structural requirements of histone deacetylase inhibitors: C4-modified saha analogs display dual HDAC6/HDAC8 selectivity
  申请人：WAYNE STATE UNIVERSITY

  公开号：US20180057448A1

  公开（公告）日：2018-03-01

  A compound having formula I for histone deacetylase inhibition is provided: or a pharmaceutically acceptable salt or hydrate thereof wherein R is alkyl, C 6-18 aryl, C 5-18 heteroaryl, C 8-22 alkylaryl, C 8-22 alkylheteroaryl, or halo.

  提供一种具有以下化学式I的化合物，用于抑制组蛋白去乙酰化酶：或其药用可接受的盐或水合物，其中R为烷基，C6-18芳基，C5-18杂环芳基，C8-22烷基芳基，C8-22烷基杂环芳基或卤素。
• [EN] 6-0-CARBAMOYL KETOLIDE DERIVATIVES OF ERYTHROMYCIN USEFUL AS ANTIBACTERIALS<br/>[FR] DERIVES 6-0-CARBAMOYLCETOLIDE DE L'ERYTHROMYCINE UTILES COMME ANTIBACTERIENS
  申请人：ORTHO MCNEIL PHARM INC

  公开号：WO2002046204A1

  公开（公告）日：2002-06-13

  6-0-carbamoyl ketolide antibacterials of the formula: wherein R?1, R2, R3, R4, R5¿, R6, X, X', Y, and Y' are as described herein and in which the substituents have the meaning indicated in the description. These compounds are useful as antibacterial agents.

  公式为6-0-氨基甲酰基酮亚胺类抗菌剂，其中R?1，R2，R3，R4，R5，R6，X，X'，Y和Y'如本文中所述，并且其中取代基具有所述描述中指示的含义。这些化合物可用作抗菌剂。
• 6-O-CARBAMOYL KETOLIDE ANTIBACTERIALS
  申请人：——

  公开号：US20030013663A1

  公开（公告）日：2003-01-16

  6-O-Carbamoyl ketolide antibacterials of the formula: 1 wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , X, X′, Y, and Y′ are as described herein and in which the substituents have the meaning indicated in the description. These compounds are useful as antibacterial agents.

  式1中，R1、R2、R3、R4、R5、R6、X、X′、Y和Y′所述的含义如本文所述，且取代基具有所述描述中指示的含义。这些化合物可用作抗菌剂。