tert-butyl 5-[2,6-diethoxy-4-(methoxycarbonyl)phenyl]nicotinate | 1203649-62-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: tert-butyl 5-[2,6-diethoxy-4-(methoxycarbonyl)phenyl]nicotinate
• 英文别名: tert-butyl 5-(2,6-diethoxy-4-methoxycarbonylphenyl)pyridine-3-carboxylate
• CAS: 1203649-62-0
• 化学式: C₂₂H₂₇NO₆
• 分子量: 401.459
• InChiKey: IEADDLOGFRJWAO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  29
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  84
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  methyl 4-bromo-3,5-diethoxybenzoate 、 5-(叔丁氧羰基)吡啶-3-羧酸 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride potassium phosphate 、 水 作用下， 以 乙二醇二甲醚 为溶剂， 生成 tert-butyl 5-[2,6-diethoxy-4-(methoxycarbonyl)phenyl]nicotinate
  参考文献：
  名称：

  [EN] NOVEL SPIROCHROMANONE CARBOXYLIC ACIDS
  [FR] NOUVEAUX ACIDES SPIROCHROMANONE CARBOXYLIQUES

  摘要：

  该发明涉及一种通式（I）的化合物：其中A代表连接基团；Ar1代表由芳香环形成的基团；R1和R2分别独立地代表氢原子、卤素原子、氰基、C2-C6烯基基团、C1-C6烷氧基团、卤代C1-C6烷氧基团、环C3-C6烷氧基团、C2-C7烷酰基团、卤代C2-C7烷酰基团、C2-C7烷氧羰基团、卤代C2-C7烷氧羰基团、环C3-C6烷氧羰基团、芳基烷氧羰基团、氨基甲氧基基团、羧基C2-C6烯基基团，或-Q1-N（Ra）-Q2-Rb基团；C1-C6烷基基团可选地具有取代基；芳基或杂环基团可选地具有取代基；或C1-C6烷基基团或C2-C6烯基基团具有芳基或杂环基团；T和U分别独立地代表氮原子或亚甲基基团；V代表氧原子、硫原子或亚胺基团。该发明的化合物可用作治疗各种与ACC相关疾病的治疗剂。

  公开号：

  WO2010002010A1

文献信息

• NOVEL SPIROCHROMANONE CARBOXYLIC ACIDS
  申请人：Jona Hideki

  公开号：US20110077262A1

  公开（公告）日：2011-03-31

  The invention relates to a compound of a general formula (I): wherein A represents a linking group; Ar 1 represents a group formed from an aromatic ring; R 1 and R 2 each independently represent a hydrogen atom, a halogen atom, a cyano group, a C2-C6 alkenyl group, a C1-C6 alkoxy group, a halo-C1-C6 alkoxy group, a cyclo-C3-C6 alkyloxy group, a C2-C7 alkanoyl group, a halo-C2-C7 alkanoyl group, a C2-C7 alkoxycarbonyl group, a halo-C2-C7 alkoxycarbonyl group, a cyclo-C3-C6 alkyloxycarbonyl group, an aralkyloxycarbonyl group, a carbamoyl-C1-C6 alkoxy group, a carboxy-C2-C6 alkenyl group, or a group of -Q 1 -N(R a )-Q 2 -R b ; a C1-C6 alkyl group optionally having substituent(s); an aryl or heterocyclic group optionally having substituent(s); or a C1-C6 alkyl group or a C2-C6 alkenyl group having the aryl or heterocyclic group; T and U each independently represent a nitrogen atom or a methine group; and V represents an oxygen atom, a sulfur atom or an imino group. The compound of the invention is useful as therapeutical agents for various ACC-related diseases.

  本发明涉及一种通式（I）的化合物：其中A代表连接基；Ar1代表由芳香环形成的基团；R1和R2各自独立地代表氢原子、卤原子、氰基、C2-C6烯基基团、C1-C6烷氧基团、卤代C1-C6烷氧基团、环-C3-C6烷氧基团、C2-C7烷酰基团、卤代C2-C7烷酰基团、C2-C7烷氧羰基团、卤代C2-C7烷氧羰基团、环-C3-C6烷氧羰基团、芳基烷氧羰基团、碳酰胺-C1-C6烷氧基团、羧基-C2-C6烯基基团或-Q1-N（Ra）-Q2-Rb基团；C1-C6烷基基团可选地具有取代基；芳基或杂环基团可选地具有取代基；或者C1-C6烷基或C2-C6烯基基团具有芳基或杂环基团；T和U各自独立地代表氮原子或甲基基团；V代表氧原子、硫原子或亚胺基团。本发明的化合物可用作治疗各种与ACC相关的疾病的治疗剂。
• Spirochromanone carboxylic acids
  申请人：Jona Hideki

  公开号：US08524730B2

  公开（公告）日：2013-09-03

  The invention relates to a compound of a general formula (I): wherein A represents a linking group; Ar1 represents a group formed from an aromatic ring; R1 and R2 each independently represent a hydrogen atom, a halogen atom, a cyano group, a C2-C6 alkenyl group, a C1-C6 alkoxy group, a halo-C1-C6 alkoxy group, a cyclo-C3-C6 alkyloxy group, a C2-C7 alkanoyl group, a halo-C2-C7 alkanoyl group, a C2-C7 alkoxycarbonyl group, a halo-C2-C7 alkoxycarbonyl group, a cyclo-C3-C6 alkyloxycarbonyl group, an aralkyloxycarbonyl group, a carbamoyl-C1-C6 alkoxy group, a carboxy-C2-C6 alkenyl group, or a group of -Q1-N(Ra)-Q2-Rb; a C1-C6 alkyl group optionally having substituent(s); an aryl or heterocyclic group optionally having substituent(s); or a C1-C6 alkyl group or a C2-C6 alkenyl group having the aryl or heterocyclic group; T and U each independently represent a nitrogen atom or a methine group; and V represents an oxygen atom, a sulfur atom or an imino group. The compound of the invention is useful as therapeutical agents for various ACC-related diseases.

  该发明涉及一种通式(I)的化合物，其中A代表连接基；Ar1代表由芳香环形成的基团；R1和R2各自独立地表示氢原子、卤素原子、氰基、C2-C6烯基基团、C1-C6烷氧基团、卤代C1-C6烷氧基团、环状C3-C6烷氧基团、C2-C7烷酰基团、卤代C2-C7烷酰基团、C2-C7烷氧羰基团、卤代C2-C7烷氧羰基团、环状C3-C6烷氧羰基团、芳基烷氧羰基团、氨基甲酰-C1-C6烷氧基团、羧基-C2-C6烯基基团或-Q1-N(Ra)-Q2-Rb基团；C1-C6烷基基团可选地具有取代基；芳基或杂环基团可选地具有取代基；或者C1-C6烷基或C2-C6烯基基团具有芳基或杂环基团；T和U各自独立地表示氮原子或甲基基团；V表示氧原子、硫原子或亚胺基团。该发明的化合物可用作治疗各种与ACC相关的疾病的治疗剂。
• US8524730B2
  申请人：——

  公开号：US8524730B2

  公开（公告）日：2013-09-03
• [EN] NOVEL SPIROCHROMANONE CARBOXYLIC ACIDS<br/>[FR] NOUVEAUX ACIDES SPIROCHROMANONE CARBOXYLIQUES
  申请人：BANYU PHARMA CO LTD

  公开号：WO2010002010A1

  公开（公告）日：2010-01-07

  The invention relates to a compound of a general formula (I): wherein A represents a linking group; Ar1 represents a group formed from an aromatic ring; R1 and R2 each independently represent a hydrogen atom, a halogen atom, a cyano group, a C2-C6 alkenyl group, a C1-C6 alkoxy group, a halo-C1-C6 alkoxy group, a cyclo-C3-C6 alkyloxy group, a C2-C7 alkanoyl group, a halo-C2-C7 alkanoyl group, a C2-C7 alkoxycarbonyl group, a halo-C2-C7 alkoxycarbonyl group, a cyclo-C3-C6 alkyloxycarbonyl group, an aralkyloxycarbonyl group, a carbamoyl-C1-C6 alkoxy group, a carboxy-C2-C6 alkenyl group, or a group of -Q1-N(Ra)-Q2-Rb; a C1-C6 alkyl group optionally having substituent(s); an aryl or heterocyclic group optionally having substituent(s); or a C1-C6 alkyl group or a C2-C6 alkenyl group having the aryl or heterocyclic group; T and U each independently represent a nitrogen atom or a methine group; and V represents an oxygen atom, a sulfur atom or an imino group. The compound of the invention is useful as therapeutical agents for various ACC-related diseases.

  该发明涉及一种通式（I）的化合物：其中A代表连接基团；Ar1代表由芳香环形成的基团；R1和R2分别独立地代表氢原子、卤素原子、氰基、C2-C6烯基基团、C1-C6烷氧基团、卤代C1-C6烷氧基团、环C3-C6烷氧基团、C2-C7烷酰基团、卤代C2-C7烷酰基团、C2-C7烷氧羰基团、卤代C2-C7烷氧羰基团、环C3-C6烷氧羰基团、芳基烷氧羰基团、氨基甲氧基基团、羧基C2-C6烯基基团，或-Q1-N（Ra）-Q2-Rb基团；C1-C6烷基基团可选地具有取代基；芳基或杂环基团可选地具有取代基；或C1-C6烷基基团或C2-C6烯基基团具有芳基或杂环基团；T和U分别独立地代表氮原子或亚甲基基团；V代表氧原子、硫原子或亚胺基团。该发明的化合物可用作治疗各种与ACC相关疾病的治疗剂。