2-fluoro-3-hydroxy-6-methoxybenzaldehyde | 1260657-56-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2-fluoro-3-hydroxy-6-methoxybenzaldehyde
• 英文别名: Benzaldehyde, 2-fluoro-3-hydroxy-6-methoxy-
• CAS: 1260657-56-4
• 化学式: C₈H₇FO₃
• mdl: MFCD11520922
• 分子量: 170.14
• InChiKey: XHEFFJOVSKZULK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-fluoro-3-hydroxy-6-methoxybenzaldehyde 在 高氯酸 、 potassium carbonate 作用下， 以 水 、 乙腈 为溶剂， 反应 6.0h， 生成 (6aR,6bS,7S,8aS,8bS,10S,11aR,12aS,12bS)-10-(3-((3-aminobenzyl)oxy)-2-fluoro-6-methoxyphenyl)-7-hydroxy-8b-(2-hydroxyacetyl)-6a,8a-dimethyl-1,2,6a,6b,7,8,8a,8b,11a,12,12a,12b-dodecahydro-4H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-4-one
  参考文献：
  名称：

  [EN] GLUCOCORTICOID RECEPTOR AGONISTS
  [FR] AGONISTES DU RÉCEPTEUR DES GLUCOCORTICOÏDES

  摘要：

  The present invention provides a compound of Formula I: wherein R is H or R1is H, halogen, C1-C3 alkyl, C3-C6 cycloalkyl, C1-C3 alkoxy, C2-C3 alkenyl, OCF3, R2is H, halogen, C1-C3 alkyl, C1-C3 alkoxy, or C2-C4 alkenyl; R3is NH2, or CH2NH2; and X is O, OCH2, OCH2CH2, OCH(CH3), CH2O, SCH2, CH2S, CH2, NHCH2, CH2NH, N(CH3)CH2, CH2CH2, C≡C, or a bond, wherein X is connected to phenyl ring A at the ortho or the meta position, or a pharmaceutically acceptable salt thereof, wherein the compound of Formula I, or pharmaceutically acceptable salt thereof is useful for treating autoimmune and inflammatory diseases, such as atopic dermatitis and rheumatoid arthritis.

  公开号：

  WO2022204108A1
• 作为产物：
  描述：

  2-氟-4-甲氧基苯酚 在 咪唑 、 正丁基锂 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 22.5h， 生成 2-fluoro-3-hydroxy-6-methoxybenzaldehyde
  参考文献：
  名称：

  [EN] CARBOXY SUBSTITUTED GLUCOCORTICOID RECEPTOR AGONISTS
  [FR] AGONISTES DU RÉCEPTEUR GLUCOCORTICOÏDE À SUBSTITUTION CARBOXY

  摘要：

  The present invention provides a compound of Formula I: (I) wherein R1is H, halogen, C1-C3 alkyl, or C1-C3 alkoxy; R2is H or halogen; and X is O, OCH2, or CH2, or a pharmaceutically acceptable salt thereof, wherein the compound of Formula I, or pharmaceutically acceptable salt thereof is useful for treating autoimmune and inflammatory diseases, such as atopic dermatitis, rheumatoid arthritis, and lupus nephritis.

  公开号：

  WO2022204099A1

文献信息

• CARBOXY SUBSTITUTED GLUCOCORTICOID RECEPTOR AGONISTS
  申请人：Eli Lilly and Company

  公开号：US20220306681A1

  公开（公告）日：2022-09-29

  The present invention provides a compound of Formula I: wherein R 1 is H, halogen, C1-C3 alkyl, or C1-C3 alkoxy; R 2 is H or halogen; and X is O, OCH 2 , or CH 2 , or a pharmaceutically acceptable salt thereof, wherein the compound of Formula I, or pharmaceutically acceptable salt thereof is useful for treating autoimmune and inflammatory diseases, such as atopic dermatitis, rheumatoid arthritis, and lupus nephritis.
• [EN] CARBOXY SUBSTITUTED GLUCOCORTICOID RECEPTOR AGONISTS<br/>[FR] AGONISTES DU RÉCEPTEUR GLUCOCORTICOÏDE À SUBSTITUTION CARBOXY
  申请人：[en]ELI LILLY AND COMPANY

  公开号：WO2022204099A1

  公开（公告）日：2022-09-29

  The present invention provides a compound of Formula I: (I) wherein R1is H, halogen, C1-C3 alkyl, or C1-C3 alkoxy; R2is H or halogen; and X is O, OCH2, or CH2, or a pharmaceutically acceptable salt thereof, wherein the compound of Formula I, or pharmaceutically acceptable salt thereof is useful for treating autoimmune and inflammatory diseases, such as atopic dermatitis, rheumatoid arthritis, and lupus nephritis.
• [EN] GLUCOCORTICOID RECEPTOR AGONISTS<br/>[FR] AGONISTES DU RÉCEPTEUR DES GLUCOCORTICOÏDES
  申请人：[en]ELI LILLY AND COMPANY

  公开号：WO2022204108A1

  公开（公告）日：2022-09-29

  The present invention provides a compound of Formula I: wherein R is H or R1is H, halogen, C1-C3 alkyl, C3-C6 cycloalkyl, C1-C3 alkoxy, C2-C3 alkenyl, OCF3, R2is H, halogen, C1-C3 alkyl, C1-C3 alkoxy, or C2-C4 alkenyl; R3is NH2, or CH2NH2; and X is O, OCH2, OCH2CH2, OCH(CH3), CH2O, SCH2, CH2S, CH2, NHCH2, CH2NH, N(CH3)CH2, CH2CH2, C≡C, or a bond, wherein X is connected to phenyl ring A at the ortho or the meta position, or a pharmaceutically acceptable salt thereof, wherein the compound of Formula I, or pharmaceutically acceptable salt thereof is useful for treating autoimmune and inflammatory diseases, such as atopic dermatitis and rheumatoid arthritis.