2-hydroxymethyl-2,4,6,7-tetramethyl-5-nitrodihydrobenzofuran | 784163-68-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 香豆素
• 英文名称: 2-hydroxymethyl-2,4,6,7-tetramethyl-5-nitrodihydrobenzofuran
• 英文别名: (2,4,6,7-tetramethyl-5-nitro-3H-1-benzofuran-2-yl)methanol
• CAS: 784163-68-4
• 化学式: C₁₃H₁₇NO₄
• 分子量: 251.282
• InChiKey: VAUCUXOEPJYUTQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  75.3
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-hydroxymethyl-2,4,6,7-tetramethyl-5-nitrodihydrobenzofuran 在 草酰氯 、 二甲基亚砜 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 生成 5-正己基水杨酸甲酯
  参考文献：
  名称：

  EP1614688

  摘要：

  公开号：
• 作为产物：
  描述：

  (2,4,6,7-tetramethyl-2,3-dihydro-1-benzofuran-2-yl)methanol 在 硝酸 、 溶剂黄146 作用下， 反应 2.0h， 生成 2-hydroxymethyl-2,4,6,7-tetramethyl-5-nitrodihydrobenzofuran
  参考文献：
  名称：

  EP1650206

  摘要：

  公开号：

文献信息

• Phenylazole compound, production process therefor and antioxidant
  申请人：Mochizuki Nobuo

  公开号：US20060189673A1

  公开（公告）日：2006-08-24

  The present invention relates to a compound represented by formula (1): (wherein R represents a hydrogen atom or a C 1-6 alkyl group which may be substituted, A represents an imidazolyl group or a pyrazolyl group, B represents a group represented by the following formula: (wherein R5 and R6 each independently represents a hydrogen atom, a cyano group, a hydroxyl group, a halogen atom, a C 1-6 alkyl group, a C 1-6 alkoxy group, or the like, k represents 0 or an integer of 1 to 15, and R5 and R6 may be identical or different from each other, when k is 2 or more), and Z represents a substituted chroman-2-yl group, a substituted 2,3-dihydrobenzofuran-2-yl, a substituted thiochroman-2-yl group, a substituted 2,3-dihydrobenzothiophene-2-yl group, or a substituted 1,3-benzoxathiol-2-yl group).

  本发明涉及一种由式(1)表示的化合物：（其中R代表氢原子或C1-6烷基基团，该基团可能被取代，A代表咪唑基团或吡唑基团，B代表由以下式表示的基团：（其中R5和R6各自独立地表示氢原子、氰基、羟基、卤素原子、C1-6烷基基团、C1-6烷氧基基团或类似基团，k表示0或1至15的整数，当k为2或更多时，R5和R6可以相同也可以不同），Z代表取代的2-色基甲基基团、取代的2,3-二氢苯并呋喃-2-基基团、取代的噻色烷-2-基基团、取代的2,3-二氢苯并噻吩-2-基基团或取代的1,3-苯并噁硫烷-2-基基团）。
• Phenylazole compounds production process and antioxidants
  申请人：Umeda Nobuhiro

  公开号：US20060247228A1

  公开（公告）日：2006-11-02

  The present invention is directed to compounds represented by the formula (1): B-D-Z  (1) [wherein B represent the following formula (B-1), (B-2) or (B-3); A represents an optionally substituted imidazole or pyrazole group; E represents the following formula (1a): X represents an oxygen atom, the formula: SOu, or the formula: N—R 9 ; Y represents a carbon atom or a nitrogen atom; D represents an oxygen atom, a sulfur atom or the formula (1a); Z represents (a chroman-2-yl group, a chroman-4-yl group, a 2,3-dihydrobenzofuran-2-yl group, a 2,3-dihydrobenzofuran-3-yl group, etc.) which is substituted with NHR 10 or OR 11 )] or pharmaceutically acceptable salts thereof, and to antioxidants, therapeutic agents for kidney diseases or cerebrovascular disorder, and retinal oxidative damage inhibitors, which include the compounds as the active ingredient.

  本发明涉及由式（1）表示的化合物：B-D-Z  （1）[其中B代表以下式（B-1），（B-2）或（B-3）;A代表可选取代的咪唑或吡唑基团;E代表以下式（1a）：X代表氧原子，式：SOu或式：N-R9; Y代表碳原子或氮原子;D代表氧原子、硫原子或式（1a）;Z代表（取代NHR10或OR11的香豆素-2-基基团、香豆素-4-基基团、2,3-二氢苯并呋喃-2-基基团、2,3-二氢苯并呋喃-3-基基团等）或其药学上可接受的盐，并且包括这些化合物作为活性成分的抗氧化剂、肾脏疾病或脑血管障碍治疗剂和视网膜氧化损伤抑制剂。
• PHENYLAZOLE COMPOUNDS, PRODUCTION PROCESS AND ANTIOXIDANTS
  申请人：Umeda Nobuhiro

  公开号：US20090306055A1

  公开（公告）日：2009-12-10

  The present invention is directed to compounds represented by the formula (1): B-D-Z (1), wherein B represent the following formula (B-1), A represents an optionally substituted imidazole or pyrazole group; E represents the following formula (1a): X represents an oxygen atom, the formula: SOu, or the formula: N—R 9 ; Y represents a carbon atom or a nitrogen atom; D represents an oxygen atom, a sulfur atom or the formula (1a); Z represents (a chroman-2-yl group, a chroman-4-yl group, a 2,3-dihydrobenzofuran-2-yl group, a 2,3-dihydrobenzofuran-3-yl group, etc.) which is substituted with NHR 10 or OR 11 )] or pharmaceutically acceptable salts thereof, and to antioxidants, therapeutic agents for kidney diseases or cerebrovascular disorder, and retinal oxidative damage inhibitors, which include the compounds as the active ingredient.

  本发明涉及由式(1)表示的化合物：B-D-Z(1)，其中B代表以下式(B-1)，A代表可选取代的咪唑或吡唑基团；E代表以下式(1a)：X代表氧原子，式：SOu，或式：N—R9；Y代表碳原子或氮原子；D代表氧原子、硫原子或式(1a)；Z代表（一个被NHR10或OR11取代的2-色基基团、4-色基基团、2,3-二氢苯并呋喃-2-基基团、2,3-二氢苯并呋喃-3-基基团等）或其药学上可接受的盐，以及将该化合物作为活性成分的抗氧化剂、肾脏疾病或脑血管疾病的治疗剂和视网膜氧化损伤抑制剂。
• PHENYLAZOLE COMPOUND, PRODUCTION PROCESS, AND ANTIOXIDANT DRUG
  申请人：NIPPON SODA CO., LTD.

  公开号：EP1614688A1

  公开（公告）日：2006-01-11

  The present invention relates to a compound represented by formula (1): (wherein R represents a hydrogen atom or a C1-6 alkyl group which may be substituted, A represents an imidazolyl group or a pyrazolyl group, B represents a group represented by the following formula: (wherein R5 and R6 each independently represents a hydrogen atom, a cyano group, a hydroxyl group, a halogen atom, a C1-6 alkyl group, a C1-6 alkoxy group, or the like, k represents 0 or an integer of 1 to 15, and R5 and R6 may be identical or different from each other, when k is 2 or more), and Z represents a substituted chroman-2-yl group, a substituted 2,3-dihydrobenzofuran-2-yl, a substituted thiochroman-2-yl group, a substituted 2,3-dihydrobenzothiophene-2-yl group, or a substituted 1,3-benzoxathiol-2-yl group).

  本发明涉及一种由式（1）表示的化合物： (其中 R 代表氢原子或可被取代的 C1-6 烷基，A 代表咪唑基或吡唑基，B 代表下式所代表的基团： (其中 R5 和 R6 各自独立地代表氢原子、氰基、羟基、卤素原子、C1-6 烷基、C1-6 烷氧基或类似基团，k 代表 0 或 1 至 15 的整数，且 R5 和 R6 可彼此相同或不同、当 k 为 2 或 2 以上时），Z 代表取代的色满-2-基、取代的 2，3-二氢苯并呋喃-2-基、取代的硫代色满-2-基、取代的 2，3-二氢苯并噻吩-2-基或取代的 1，3-苯并氧硫醇-2-基）。
• PHENYLAZOLE COMPOUNDS, PRODUCTION PROCESS, AND ANTIOXIDANTS
  申请人：NIPPON SODA CO., LTD.

  公开号：EP1650206A1

  公开（公告）日：2006-04-26

  The present invention is directed to compounds represented by the formula (1):         B-D-Z     (1) [wherein B represent the following formula (B-1), (B-2) or (B-3); A represents an optionally substituted imidazole or pyrazole group; E represents the following formula (1a): X represents an oxygen atom, the formula: SOu, or the formula: N-R9; Y represents a carbon atom or a nitrogen atom; D represents an oxygen atom, a sulfur atom or the formula (1a); Z represents (a chroman-2-yl group, a chroman-4-yl group, a 2,3-dihydrobenzofuran-2-yl group, a 2,3-dihydrobenzofuran-3-yl group, etc.) which is substituted with NHR10 or OR11)] or pharmaceutically acceptable salts thereof, and to antioxidants, therapeutic agents for kidney diseases or cerebrovascular disorder, and retinal oxidative damage inhibitors, which include the compounds as the active ingredient.

  本发明涉及由式（1）代表的化合物： B-D-Z (1) [其中 B 代表下式（B-1）、（B-2）或（B-3）； A 代表任选取代的咪唑或吡唑基团； E 代表下式（1a）： X 代表氧原子、式SOu，或式N-R9； Y 代表碳原子或氮原子； D 代表氧原子、硫原子或式（1a）； Z 代表被 NHR10 或 OR11 取代的（色烷-2-基、色烷-4-基、2,3-二氢苯并呋喃-2-基、2,3-二氢苯并呋喃-3-基等）]或其药学上可接受的盐，以及抗氧化剂、肾病或脑血管疾病治疗剂和视网膜氧化损伤抑制剂，其中包括作为活性成分的化合物。