furoic acid-3-hydroxypropyl ester

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 呋喃
• 英文名称: furoic acid-3-hydroxypropyl ester
• 英文别名: 3-hydroxypropyl furan-2-carboxylate；FAHP；3-Hydroxypropyl furan-2-carboxylate
• 化学式: C₈H₁₀O₄
• 分子量: 170.165
• InChiKey: MUZKUZUICJBFBA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  59.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  糠酸（呋喃甲酸） 、 3-氨基-1-丙醇 在 1,3-propanedinitrite 作用下， 以 叔丁醇 为溶剂， 反应 16.0h， 以99%的产率得到furoic acid-3-hydroxypropyl ester
  参考文献：
  名称：

  由氨基醇无保护基合成羟基酯。

  摘要：

  报道了在连续流动和间歇过程中由羧酸和未保护的氨基醇合成羟基酯的方法。用亚硝酸盐试剂形成瞬态重氮物质是该转化的关键。反应条件与各种官能团相容。

  DOI：

  10.1039/d0cc03242e

文献信息

• Furfural derivatives as a vehicle
  申请人：RHODIA OPERATIONS

  公开号：US20160000066A1

  公开（公告）日：2016-01-07

  The present invention concerns the use of a furfural derivative of formula (I) in which R represents (i) a —CH═CR′ 1 —COR 1 group, a group a group a group or a —CHO and R′ represents a hydrogen atom or a (C 1 -C 4 )alkyl group, as a chemical vehicle, as a solvent, co-solvent, coalescing agent, crystallization inhibitor, plasticising agent, degreasing agent, etchant, cleaning agent or agent for increasing biological activity, and more particularly as a solvent. It also concerns phytosanitary formulations or resin-solubilising formulations comprising at least one such furfural derivative of formula (I).

  本发明涉及将式(I)中R代表(i) -CH═CR′1-COR1基团，一个基团，一个基团，或-CHO，R′代表氢原子或(C1-C4)烷基基团的糠醛衍生物用作化学载体、溶剂、共溶剂、凝聚剂、结晶抑制剂、增塑剂、脱脂剂、蚀刻剂、清洁剂或增加生物活性的剂，更特别地作为溶剂。还涉及包含至少一种上述式(I)的糠醛衍生物的植物保健配方或树脂溶解配方。
• Antimicrobial compositions
  申请人：SYMRISE AG

  公开号：US11116710B2

  公开（公告）日：2021-09-14

  The present invention is the use of a compound of formula (I) or a (pharmaceutically) acceptable salt thereof, wherein (a) X denotes CH═CH or CZ1=CZ2, wherein if Z1 is H then Z2 denotes a radical selected from the group consisting of OH, NH2, NHMe, NMe2, OMe and OEt and if Z2 is H then Z1 denotes a radical selected from the group consisting of OH, NH2, NHMe, NMe2, OMe and OEt, Y denotes a radical selected from the group consisting of NH2, NHMe, NMe2, NHEt, O—(CH2)n—OH, wherein n is 2 to 5 and R denotes a radical selected from the group consisting of H, OH, Me, Et, OMe, OEt, NH2, NHMe, NMe2, NHEt and NEt2, or (b) X denotes O, Y denotes a radical selected from the group consisting of NH2, NHMe, NMe2, NHEt, O—(CH2)n—OH and OMe, wherein n is 2 to 5 and R denotes H, OH, Me, Et, OMe, OEt, NH2, NHMe, NMe2, NHEt, NEt2 as antimicrobial agent as well as to composition comprising said agent.

  本发明是式(I)化合物或其(药学上)可接受的盐的用途，其中(a) X表示CH═CH或CZ1=CZ2，如果Z1是H，则Z2表示选自由OH、NH2、NHMe、NMe2、OMe和OEt组成的组的基，如果Z2是H，则Z1表示选自由OH、NH2、NHMe2、OMe和OEt组成的组的基、NH2、NHMe、NMe2、OMe 和 OEt 所组成的组中的基，如果 Z2 是 H，则 Z1 表示选自 OH、NH2、NHMe、NMe2、OMe 和 OEt 所组成的组中的基，Y 表示选自 NH2、NHMe、其中 n 为 2 至 5，R 表示选自由 H、OH、Me、Et、OMe、OEt、NH2、NHMe、NMe2、NHEt 和 NEt2 组成的基团，或 (b) X 表示 O，Y 表示选自由 NH2、NHMe、NMe2、OMe 和 OEt 组成的基团、NHMe、NMe2、NHEt、O-(CH2)n-OH 和 OMe，其中 n 为 2 至 5，R 表示 H、OH、Me、Et、OMe、OEt、NH2、NHMe、NMe2、NHEt、NEt2。
• ANTIMICROBIAL COMPOSITIONS
  申请人：SYMRISE AG

  公开号：US20190282478A1

  公开（公告）日：2019-09-19

  The present invention is the use of a compound of formula (I) or a (pharmaceutically) acceptable salt thereof, wherein (a) X denotes CH═CH or CZ1=CZ2, wherein if Z1 is H then Z2 denotes a radical selected from the group consisting of OH, NH 2 , NHMe, NMe 2 , OMe and OEt and if Z2 is H then Z1 denotes a radical selected from the group consisting of OH, NH 2 , NHMe, NMe 2 , OMe and OEt, Y denotes a radical selected from the group consisting of NH 2 , NHMe, NMe 2 , NHEt, O—(CH 2 ) n —OH, wherein n is 2 to 5 and R denotes a radical selected from the group consisting of H, OH, Me, Et, OMe, OEt, NH 2 , NHMe, NMe 2 , NHEt and NEt 2 , or (b) X denotes O, Y denotes a radical selected from the group consisting of NH 2 , NHMe, NMe 2 , NHEt, O—(CH 2 ) n —OH and OMe, wherein n is 2 to 5 and R denotes H, OH, Me, Et, OMe, OEt, NH 2 , NHMe, NMe 2 , NHEt, NEt 2 as anti-microbial agent as well as to composition comprising said agent.
• [EN] FURFURAL DERIVATIVES AS A VEHICLE<br/>[FR] DERIVES DU FURFURAL A TITRE DE VEHICULE
  申请人：RHODIA OPERATIONS

  公开号：WO2014132178A2

  公开（公告）日：2014-09-04

  La présente invention a pour objet l'utilisation d'un dérivé de furfural de formule (I) dans laquelle R représente (i) un groupe -CH=CR'1-COR1, un groupe (ii), un groupe (iii), un groupe (iv) ou un groupe -CHO et R' représente un atome d'hydrogène ou un groupe (C1-C4)alkyle, à titre de véhicule de produit chimique, à titre de solvant, de co-solvant, d'agent de coalescence, d'inhibiteur de cristallisation, d'agent plastifiant, d'agent de dégraissage, d'agent décapant, d'agent nettoyant ou d'agent d'augmentation de l'activité biologique, et plus particulièrement à titre de solvant. Elle concerne également des formulations phytosanitaires ou des formulations de solubilisation de résines comprenant au moins un tel dérivé de furfural de formule (I).
• [EN] ANTIMICROBIAL COMPOSITIONS<br/>[FR] COMPOSITIONS ANTIMICROBIENNES
  申请人：SYMRISE AG

  公开号：WO2018068825A1

  公开（公告）日：2018-04-19

  The present invention is the use of a compound of formula (I) or a (pharmaceutically) acceptable salt thereof, wherein (a) X denotes CH=CH or CZ1=CZ2, wherein if Z1 is H then Z2 denotes a radical selected from the group consisting of OH, NH2, NHMe, NMe2, OMe and OEt and if Z2 is H then Z1 denotes a radical selected from the group consisting of OH, NH2, NHMe, NMe2, OMe and OEt, Y denotes a radical selected from the group consisting of NH2, NHMe, NMe2, NHEt, O-(CH2)n-OH, wherein n is 2 to 5 and R denotes a radical selected from the group consisting of H, OH, Me, Et, OMe, OEt, NH2, NHMe, NMe2, NHEt and NEt2, or (b) X denotes O, Y denotes a radical selected from the group consisting of NH2, NHMe, NMe2, NHEt, O-(CH2)n-OH and OMe, wherein n is 2 to 5 and R denotes H, OH, Me, Et, OMe, OEt, NH2, NHMe, NMe2, NHEt, NEt2 as antimicrobial agent as well as to composition comprising said agent.