2-(2,5-dimethoxy-4-methylbenzoyl)-3,6-dimethoxybenzoic acid | 155126-91-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(2,5-dimethoxy-4-methylbenzoyl)-3,6-dimethoxybenzoic acid
• CAS: 155126-91-3
• 化学式: C₁₉H₂₀O₇
• 分子量: 360.364
• InChiKey: AHYSKFQDXIWNLV-UHFFFAOYSA-N

物化性质

• 沸点：
  588.7±50.0 °C(Predicted)
• 密度：
  1.232±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  26
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  91.3
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  硫酸二甲酯 、 2-(2,5-dimethoxy-4-methylbenzoyl)-3,6-dimethoxybenzoic acid 在 硫酸 、 potassium carbonate 作用下， 生成 Cynodontintetramethylaether
  参考文献：
  名称：

  A versatile synthesis of hydroxy-9,10-anthraquinone-2-carboxylic acids.

  摘要：

  Islandicin, a mould metabolite, can be synthesised in a few, robust, high yielding steps. This procedure can be further elaborated to give a variety of hydroxy-9,10-anthraquinone-2-carboxylic acids.

  DOI：

  10.1016/s0040-4039(00)60149-1
• 作为产物：
  描述：

  甲基氢醌 在 三氯化铝 、 potassium carbonate 作用下， 以 二氯甲烷 、 丁酮 为溶剂， 反应 24.0h， 生成 2-(2,5-dimethoxy-4-methylbenzoyl)-3,6-dimethoxybenzoic acid
  参考文献：
  名称：

  A versatile synthesis of hydroxy-9,10-anthraquinone-2-carboxylic acids.

  摘要：

  Islandicin, a mould metabolite, can be synthesised in a few, robust, high yielding steps. This procedure can be further elaborated to give a variety of hydroxy-9,10-anthraquinone-2-carboxylic acids.

  DOI：

  10.1016/s0040-4039(00)60149-1

文献信息

• Pharmaceutical compounds
  申请人：Lilly Industries Limited

  公开号：US05480873A1

  公开（公告）日：1996-01-02

  Pharmaceutical compounds of the formula ##STR1## in which R.sup.1 and R.sup.2 are each hydrogen, hydroxyl, halo, C.sub.1-4 alkyl, C.sub.1-4 alkoxy, acyloxy, --O-glucoside, optionally substituted phenyl or optionally substituted phenyl-C.sub.1-4 alkoxy; R.sup.3 is tetrazolyl, or and R.sup.4 and R.sup.5 are each hydrogen, hydroxy, acyloxy, nitro, C.sub.1-4 alkyl, C.sub.1-4 alkoxy, halo, optionally substituted phenyl, --SO.sub.3 H or --NR'R" where R' and R" are each hydrogen or C.sub.1-4 alkyl; provided that when R.sup.3 is --CR'R".CHR'"CO.sub.2 H or tetrazolyl, R.sup.1 and R.sup.2 are each hydroxyl, halo, C.sub.1-4 alkyl, C.sub.1-4 alkoxy, acyloxy, --O-glucoside, optionally substituted phenyl or optionally substituted phenyl C.sub.1-4 alkoxy; and or a pharmaceutically acceptable salt or ester thereof.

  公式为##STR1##的药物化合物，其中R.sup.1和R.sup.2分别为氢、羟基、卤素、C.sub.1-4烷基、C.sub.1-4烷氧基、酰氧基、-O-葡萄糖苷、可选择取代的苯基或可选择取代的苯基-C.sub.1-4烷氧基；R.sup.3为四唑基，或者R.sup.4和R.sup.5分别为氢、羟基、酰氧基、硝基、C.sub.1-4烷基、C.sub.1-4烷氧基、卤素、可选择取代的苯基、-SO.sub.3 H或-NR'R"，其中R'和R"分别为氢或C.sub.1-4烷基；但是当R.sup.3为--CR'R".CHR'"CO.sub.2 H或四唑基时，R.sup.1和R.sup.2分别为羟基、卤素、C.sub.1-4烷基、C.sub.1-4烷氧基、酰氧基、-O-葡萄糖苷、可选择取代的苯基或可选择取代的苯基-C.sub.1-4烷氧基；或其药学上可接受的盐或酯。
• Anthraquinone derivatives, process for their preparation and their use as medicaments
  申请人：LILLY INDUSTRIES LIMITED

  公开号：EP0570091A1

  公开（公告）日：1993-11-18

  Pharmaceutical compounds of the formula in which R¹ and R² are each hydrogen, hydroxyl, halo, C₁₋₄ alkyl, C₁₋₄ alkoxy, acyloxy, -O-glucoside, optionally substituted phenyl or optionally substituted phenyl-C₁₋₄ alkoxy; R³ is CO₂H, NR'SO₂R'' where R' is hydrogen or C₁₋₄ alkyl and R'' is hydroxyl, C₁₋₄ alkyl or optionally substituted phenyl, CONR'R'' where R' and R'' are each hydrogen, C₁₋₄ alkyl, acyl or optionally substituted phenyl, CONR'OR'' where R' is C₁₋₄ alkyl or optionally substituted phenyl and R'' is C₁₋₄ alkyl or benzyl, CR'R''.CR‴ (NHR'''')CO₂H where R' and R'' are each hydrogen, C₁₋₄ alkyl or optionally substituted phenyl, R‴ is hydrogen, CO₂H or -C₁₋₄ alkylene-CO₂H, and R'''' is hydrogen or acyl, CR'R''.CHR‴CO₂H where R' and R'' are each hydrogen or C₁₋₄ alkyl and R‴ is optionally substituted phenyl, CR'R''S(O)nR‴ where R' and R'' are each hydrogen or C₁₋₄ alkyl, R‴ is optionally substituted phenyl and n is 0,1 or 2, PO₃R'R'' where R' and R'' are each hydrogen, C₁₋₄ alkyl or optionally substituted phenyl, CR'R''-PO₃R‴R'''' where R', R'', R‴ and R'''' are each hydrogen, C₁₋₄ alkyl or optionally substituted phenyl, CH=CH-PO₃R'R'' where R' and R'' are each hydrogen, C₁₋₄ alkyl or optionally substituted phenyl, CH=C-PO₃R'R''    \ PO₃R‴R''''    where R', R'', R‴ and R'''' are each hydrogen, C₁₋₄ alkyl or optionally substituted phenyl, CH₂CH-PO₃R'R''    \ PO₃R‴R''''    where R', R'', R‴ and R'''' are each hydrogen, C₁₋₄ alkyl or optionally substituted phenyl, CH=CHR' where R' is -CO₂H, nitrile, tetrazolyl, optionally substituted benzimidazol-2-yl, optionally substituted N-C₁₋₄ alkyl benzimidazol-2-yl, optionally substituted oxazol-5-yl, optionally substituted thiazol-5-yl, optionally substituted isoxazol-5-yl, optionally substituted isothiazol-5-yl or optionally substituted oxadiazol-2-yl, tetrazolyl, or pyridyl, optionally substituted benzimidazol-2-yl, optionally substituted N-C₁₋₄ alkyl benzimidazol-2-yl, optionally substituted oxazol-5-yl, optionally substituted thiazol-5-yl, optionally substituted isoxazol-5-yl, optionally substituted isothiazol-5-yl or optionally substituted oxadiazol-2-yl; and R⁴ and R⁵ are each hydrogen, hydroxy, acyloxy, nitro, C₁₋₄ alkyl, C₁₋₄ alkoxy, halo, optionally substituted phenyl, -SO₃H or -NR'R'' where R' and R'' are each hydrogen or C₁₋₄ alkyl; or a pharmaceutically acceptable salt or ester thereof.

  式中的药物化合物 其中 R¹ 和 R² 分别是氢、羟基、卤代、C₁₋₄ 烷基、C₁₋₄ 烷氧基、酰氧基、-O-葡糖苷、任选取代的苯基或任选取代的苯基-C₁₋₄ 烷氧基； R³ 是 CO₂H NR'SO₂R'' 其中 R' 是氢或 C₁₋₄ 烷基，R'' 是羟基、C₁₋₄ 烷基或任选取代的苯基、 CONR'R'' 其中 R' 和 R'' 分别为氢、C₁₋₄ 烷基、酰基或任选取代的苯基、 CONR'OR'' 其中 R' 是 C₁₋₄ 烷基或任选取代的苯基，R'' 是 C₁₋₄ 烷基或苄基、 CR'R''.CR‴ (NHR'''')CO₂H 其中 R' 和 R'' 分别是氢、C₁₋₄ 烷基或任选取代的苯基，R‴ 是氢、CO₂H 或 -C₁₋₄ 烷基-CO₂H，R'''' 是氢或酰基、 CR'R''.CHR‴CO₂H 其中 R' 和 R'' 分别是氢或 C₁₋₄ 烷基，R‴ 是任选取代的苯基、 CR'R''S(O)nR‴ 其中 R' 和 R''各自为氢或 C₁₋₄烷基，R‴为任选取代的苯基，n 为 0、1 或 2、 PO₃R'R'' 其中 R' 和 R'' 分别为氢、C₁₋₄ 烷基或任选取代的苯基、 CR'R''-PO₃R‴R'''' 其中 R'、R''、R‴ 和 R'''' 分别为氢、C₁₋₄ 烷基或任选取代的苯基、 CH=CH-PO₃R'R'' 其中 R' 和 R'' 分别为氢、C₁₋₄ 烷基或任选取代的苯基、 CH=C-PO₃R'R'' \ PO₃R‴R'''' 其中 R'、R''、R‴ 和 R'''' 各为氢、C₁₋₄ 烷基或任选取代的苯基、 CH₂CH-PO₃R'R'' \ PO₃R‴R'''' 其中 R'、R''、R‴ 和 R'''' 各为氢、C₁₋₄ 烷基或任选取代的苯基、 CH=CHR' 其中 R' 是-CO₂H、腈、四唑基、任选取代的苯并咪唑-2-基、任选取代的 N-C₁₋₄ 烷基苯并咪唑-2-基、任选取代的噁唑-5-基、任选取代的噻唑-5-基、任选取代的异噁唑-5-基、任选取代的异噻唑-5-基或任选取代的噁二唑-2-基、 四唑基，或 吡啶基、任选取代的苯并咪唑-2-基、任选取代的 N-C₁₋₄ 烷基苯并咪唑-2-基、任选取代的恶唑-5-基、任选取代的噻唑-5-基、任选取代的异恶唑-5-基、任选取代的异噻唑-5-基或任选取代的噁二唑-2-基；以及 R⁴ 和 R⁵ 分别是氢、羟基、酰氧基、硝基、C₁₋₄ 烷基、C₁₋₄ 烷氧基、卤代、任选取代的苯基、-SO₃H 或-NR'R''，其中 R' 和 R'' 分别是氢或 C₁₋₄烷基； 或其药学上可接受的盐或酯。
• US5480873A
  申请人：——

  公开号：US5480873A

  公开（公告）日：1996-01-02
• A versatile synthesis of hydroxy-9,10-anthraquinone-2-carboxylic acids.
  作者：Colin W. Smith、Samantha J. Ambler、David J. Steggles

  DOI：10.1016/s0040-4039(00)60149-1

  日期：1993.11

  Islandicin, a mould metabolite, can be synthesised in a few, robust, high yielding steps. This procedure can be further elaborated to give a variety of hydroxy-9,10-anthraquinone-2-carboxylic acids.