6-(羟基甲基)- 1(3h)-异苯并呋喃酮 | 452978-21-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异香豆素
• 中文名称: 6-(羟基甲基)- 1(3h)-异苯并呋喃酮
• 中文别名: 6-(羟基甲基)-1(3h)-异苯并呋喃酮
• 英文名称: 6-(hydroxymethyl)-1(3H)-isobenzofuranone
• 英文别名: 6-hydroxymethyl-3H-isobenzofuran-1-one；6-(Hydroxymethyl)-2-benzofuran-1(3H)-one；6-(hydroxymethyl)-3H-2-benzofuran-1-one
• CAS: 452978-21-1
• 化学式: C₉H₈O₃
• 分子量: 164.161
• InChiKey: YOZMWKCMXYWHLA-UHFFFAOYSA-N

物化性质

• 沸点：
  429.4±45.0 °C(Predicted)
• 密度：
  1.369±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-(羟基甲基)- 1(3h)-异苯并呋喃酮 在 manganese dioxide 作用下， 生成 3-氧代-1,3-二氢-2-苯并呋喃-5-甲醛
  参考文献：
  名称：

  Water-soluble triazole fungicide

  摘要：

  公式（I）的三唑化合物或其药理学盐： 其中X代表具有抗真菌活性的公式X-OH的基团，L代表-(相邻取代的C6-C10芳基)-CH2基团，R代表-P（═O）（OH）2基团。

  公开号：

  US07230023B2
• 作为产物：
  描述：

  methyl 2,5-bis(acetoxymethyl)benzoate 在 甲醇 、 potassium carbonate 、 盐酸 作用下， 以 水 为溶剂， 反应 2.0h， 以76%的产率得到6-(羟基甲基)- 1(3h)-异苯并呋喃酮
  参考文献：
  名称：

  WATER-SOLUBLE TRIAZOLE FUNGICIDE

  摘要：

  公开号：

  EP1362856B1

文献信息

• ISOINDOLIN-1-ONES AS MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF) INHIBITORS
  申请人：Controlled Chemicals, Inc.

  公开号：US20150175540A1

  公开（公告）日：2015-06-25

  Compounds having an isoindolin-1-one backbone of Formula (I) are disclosed which have utility in treating and/or preventing microbial infections, tumor growth, metastasis and other macrophage migration inhibitory factor (MIF)-modulated pathological conditions. Pharmaceutical compositions and methods and use of compounds of Formula (I) are also disclosed.

  公开了具有式(I)的异吲哚啉-1-酮骨架的化合物，其在治疗和/或预防微生物感染、肿瘤生长、转移以及其他巨噬细胞迁移抑制因子（MIF）调节的病理条件方面具有用途。还公开了式(I)化合物的药物组合物、方法和用途。
• OXYGEN SCAVENGING MOLECULES, ARTICLES CONTAINING SAME, AND METHODS OF THEIR USE
  申请人：Deshpande Girish Nilkanth

  公开号：US20110251395A1

  公开（公告）日：2011-10-13

  The invention relates to compounds of the structure of formula I and II: where X is selected from the group consisting of O, S and NH; Y, A and B are independently selected from the group consisting of N and CH; D, E and F are independently selected from the group consisting of CH, N, O and S; the symbol represents a single or a double bond; and R 1 , R 2 and R 3 are independently selected from the group consisting of H, electron withdrawing groups and electron releasing groups. In other embodiments, the compounds are used as oxygen scavengers and in barrier compositions and articles.

  该发明涉及结构为公式I和II的化合物：其中X从O、S和NH组成的群体中选择；Y、A和B从N和CH组成的群体中独立选择；D、E和F从CH、N、O和S组成的群体中独立选择；符号代表单键或双键；R1、R2和R3从H、电子吸引基团和电子释放基团组成的群体中独立选择。在其他实施方式中，这些化合物被用作氧清除剂，以及在屏障组合物和制品中使用。
• Oxygen Scavenging Molecules, Articles Containing Same, And Methods Of Their Use
  申请人：Deshpande Girish Nilkanth

  公开号：US20080277622A1

  公开（公告）日：2008-11-13

  The invention relates to compounds of the structure of formula I and II: where X is selected from the group consisting of O, S and NH; Y, A and B are independently selected from the group consisting of N and CH; D, E and F are independently selected from the group consisting of CH, N, O and S; the symbol — represents a single or a double bond; and R 1 , R 2 and R 3 are independently selected from the group consisting of H, electron withdrawing groups and electron releasing groups. In other embodiments, the compounds are used as oxygen scavengers and in barrier compositions and articles.

  本发明涉及结构式I和II的化合物：其中X选自O，S和NH组成的群体；Y，A和B独立地选自N和CH组成的群体；D，E和F独立地选自CH，N，O和S组成的群体；符号—表示单键或双键；R1，R2和R3独立地选自H，电子提取基团和电子释放基团组成的群体。在其他实施例中，这些化合物被用作氧气清除剂和隔离物组成和物品。
• Amine-Based Compound and Use Thereof
  申请人：Saitou Atsushi

  公开号：US20070208007A1

  公开（公告）日：2007-09-06

  Novel amine compounds which are represented by the following formula (1) and efficacious against diseases such as a viral infectious disease with HIV, rheumatism, and cancer metastasis; typically, A 1 and A 2 represent a hydrogen atom or a substitutable monocyclic or polycyclic heteroaromatic ring and W represents a substitutable benzene ring or any group represented by the following formula (10) or (11): where X represents O, CH 2 , C(═O), NR 11 , or CHR 35 and D represents a group represented by the following formula (6): where Q represents a single bond, NR 12 , or a group represented by the formula (13): and Y represents a group represented by the following formula (7): where z represents a substitutable monocyclic or polycyclic aromatic ring; and B represents —NR 25 R 26 ; and R 1 to R 26 in the above formulae represent a hydrogen atom, an alkyl group, an alkenyl group, or an alkynyl group.

  以下是该段文本的中文翻译： 新型胺类化合物的化学式如下（1），可用于治疗病毒性感染疾病（如艾滋病毒感染）、风湿病和癌症转移等疾病。其中，A1和A2代表氢原子或可替换的单环或多环杂芳香环，W代表可替换的苯环或以下化学式（10）或（11）所代表的任何基团： 其中，X代表O、CH2、C(═O)、NR11或CHR35，D代表以下化学式（6）所代表的基团： 其中，Q代表单键、NR12或以下化学式（13）所代表的基团，Y代表以下化学式（7）所代表的基团： 其中，z代表可替换的单环或多环芳香环，B代表—NR25R26，R1到R26代表氢原子、烷基、烯基或炔基。
• AMINE-BASED COMPOUND AND USE THEREOF
  申请人：SAITOU Atsushi

  公开号：US20110172212A1

  公开（公告）日：2011-07-14

  Novel amine compounds which are represented by the following formula (1) and efficacious against diseases such as a viral infectious disease with HIV, rheumatism, and cancer metastasis; typically, A 1 and A 2 represent a hydrogen atom or a substitutable monocyclic or polycyclic heteroaromatic ring and W represents a substitutable benzene ring or any group represented by the following formula (10) or (11): where X represents O, CH 2 , C(═O), NR 11 , or CHR 35 and D represents a group represented by the following formula (6): [Formula 4] -Q-Y—B  (6) where Q represents a single bond, NR 12 , or a group represented by the formula (13): and Y represents a group represented by the following formula (7): [Formula 6] —(CR 18 R 19 ) m 3 - or —(CR 20 R 21 ) m 4 - z -(CR 22 R 23 ) m 5 -  (7) where z represents a substitutable monocyclic or polycyclic aromatic ring; and B represents —NR 25 R 26 ; and R 1 to R 26 in the above formulae represent a hydrogen atom, an alkyl group, an alkenyl group, or an alkynyl group.

  以下是一种新型胺化合物，可用于治疗病毒性感染疾病（如HIV）、风湿病和癌症转移等疾病。通常，A1和A2代表氢原子或可替代的单环或多环杂环芳香环，W代表可替代的苯环或以下公式（10）或（11）所代表的任何基团： 其中，X代表O、CH2、C（═O）、NR11或CHR35，D代表以下公式（6）所代表的基团： [公式4]-Q-Y—B  （6） 其中，Q代表单键、NR12或以下公式（13）所代表的基团： Y代表以下公式（7）所代表的基团： [公式6]—（CR18R19）m3-或—（CR20R21）m4-z-（CR22R23）m5-  （7） 其中，z代表可替代的单环或多环芳香环；B代表—NR25R26；上述公式中的R1至R26代表氢原子、烷基、烯基或炔基。