2,2-dimethyl-4H-benzo[1,3]dioxine-4-carboxylic acid | 606977-40-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并二恶烷
• 英文名称: 2,2-dimethyl-4H-benzo[1,3]dioxine-4-carboxylic acid
• 英文别名: 2,2-dimethyl-4H-1,3-benzodioxine-4-carboxylic acid
• CAS: 606977-40-6
• 化学式: C₁₁H₁₂O₄
• 分子量: 208.214
• InChiKey: VBOFRFPWWPSJCK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,2-dimethyl-4H-benzo[1,3]dioxine-4-carboxylic acid 在 草酰氯 、 三乙胺 、 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 为溶剂， 反应 0.16h， 生成 (2,2-Dimethyl-4H-benzo[1,3]dioxin-4-yl)-(1-methyl-3,4-dihydro-1H,6H-azepino[5,4,3-cd]indol-5-yl)-methanone
  参考文献：
  名称：

  A Synthetic Approach to Nomofungin/Communesin B

  摘要：

  [GRAPHICS]A highly stereoselective intramolecular cycloaddition of an indole tethered to an aza-ortho-xylylene intermediate effects the rapid construction of a substantial portion of the ring system of the cytotoxic natural product communesin B. An analogous cycloaddition involving an orthoquinone methide intermediate provides an adduct that clearly revealed that the structural assignment for nomofungin was in error.

  DOI：

  10.1021/ol034407v
• 作为产物：
  描述：

  ethyl hydroxy(2-hydroxyphenyl)acetate 在 氢氧化钾 、 camphor-10-sulfonic acid 作用下， 以 甲醇 、 丙酮 为溶剂， 反应 15.0h， 生成 2,2-dimethyl-4H-benzo[1,3]dioxine-4-carboxylic acid
  参考文献：
  名称：

  A Synthetic Approach to Nomofungin/Communesin B

  摘要：

  [GRAPHICS]A highly stereoselective intramolecular cycloaddition of an indole tethered to an aza-ortho-xylylene intermediate effects the rapid construction of a substantial portion of the ring system of the cytotoxic natural product communesin B. An analogous cycloaddition involving an orthoquinone methide intermediate provides an adduct that clearly revealed that the structural assignment for nomofungin was in error.

  DOI：

  10.1021/ol034407v

文献信息

• [EN] 1,1'-(1,2-ETHYNEDIYL)BIS-BENZENE DERIVATIVES AS PTP 1-B INHIBITORS<br/>[FR] DERIVES DE 1,1'-(1,2-ETHYNEDIYLE)BIS-BENZENE INHIBITEURS DE PTP 1-B
  申请人：APPLIED RESEARCH SYSTEMS

  公开号：WO2005097773A1

  公开（公告）日：2005-10-20

  The present invention is related to carboxylic acids of Formula (I) and use thereof for the treatment and/or prevention of obesity and/or metabolic disorders mediated by insulin resistance or hyperglycemia, comprising diabetes type I and/or II, inadequate glucose tolerance, insulin resistance, hyperlipidemia, hypertriglyceridemia, hypercholesterolemia, polycystic ovary syndrome (PCOS). In particular, the present invention is related to the use of carboxylic acids of Formula (I) to modulate, notably to inhibit the activity of PTPs.

  本发明涉及式(I)的羧酸及其用于治疗和/或预防肥胖和/或由胰岛素抵抗或高血糖介导的代谢紊乱的使用，包括I型和/或II型糖尿病、葡萄糖耐量不足、胰岛素抵抗、高脂血症、高甘油三酯血症、高胆固醇血症、多囊卵巢综合征（PCOS）。特别是，本发明涉及使用式(I)的羧酸来调节，尤其是抑制PTPs的活性。
• [EN] SULFAMATE DERIVATIVE COMPOUNDS FOR USE IN TREATING OR ALLEVIATING PAIN<br/>[FR] COMPOSÉS DÉRIVÉS DE SULFAMATE DESTINÉS À ÊTRE UTILISÉS POUR LE TRAITEMENT OU LE SOULAGEMENT DE LA DOULEUR
  申请人：BIO PHARM SOLUTIONS CO LTD

  公开号：WO2015088272A9

  公开（公告）日：2015-10-01
• 1,1'-(1,2-ETHYNEDIYL)BIS-BENZENE DERIVATIVES AS PTP 1-B INHIBITORS
  申请人：Applied Research Systems ARS Holding N.V.

  公开号：EP1756081A1

  公开（公告）日：2007-02-28
• SULFAMATE DERIVATIVE COMPOUNDS FOR USE IN TREATING OR ALLEVIATING PAIN
  申请人：Bio-Pharm Solutions Co., Ltd.

  公开号：EP3079687A1

  公开（公告）日：2016-10-19
• A Synthetic Approach to Nomofungin/Communesin B
  作者：Seth L. Crawley、Raymond L. Funk

  DOI：10.1021/ol034407v

  日期：2003.9.1

  [GRAPHICS]A highly stereoselective intramolecular cycloaddition of an indole tethered to an aza-ortho-xylylene intermediate effects the rapid construction of a substantial portion of the ring system of the cytotoxic natural product communesin B. An analogous cycloaddition involving an orthoquinone methide intermediate provides an adduct that clearly revealed that the structural assignment for nomofungin was in error.