3-methoxy-4,5-dimethylbenzoic acid | 188017-02-9

• 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: 3-methoxy-4,5-dimethylbenzoic acid
• 英文别名: 3-Methoxy-4,5-dimethyl-benzoesaeure
• CAS: 188017-02-9
• 化学式: C₁₀H₁₂O₃
• 分子量: 180.203
• InChiKey: ZINHOYQQTYOYRJ-UHFFFAOYSA-N

物化性质

• 沸点：
  332.5±37.0 °C(Predicted)
• 密度：
  1.136±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-methoxy-4,5-dimethylbenzoic acid 在 potassium permanganate 、 氢碘酸 、 sodium carbonate 作用下， 生成 2-hydroxy-6-methyl-terephthalic acid
  参考文献：
  名称：

  Comparison of 0.1% dexamethasone phosphate eye gel (Dexagel) and 1% prednisolone acetate eye suspension in the treatment of post-operative inflammation after cataract surgery

  摘要：

  A prospective, multi-centre, clinical parallel group study was conducted to assess the efficacy and safety of a new 0.1% dexamethasone phosphate eye gel (Group 1, n = 117) compared to 1% prednisolone acetate eye suspension (Group 21, n = 119) in a total of 236 patients (safety population), aged 39-92 years, following cataract surgery. Both drugs were given four times a day for 14 days starting 24 +/- 4 h after surgery. Criteria for evaluation were the reduction in anterior chamber flare and inflammation severity score (primary efficacy criteria) as well as different secondary efficacy and safety evaluation criteria. Laser photometry (LFM-500, Kowa), slit lamp assessment and the examination of other objective and subjective symptoms of ocular discomfort were performed between the last preoperative and 14th post-operative day. There were no statistically significant differences between the treatment groups concerning primary and secondary efficacy criteria. The mean reduction in anterior chamber flare from day I to day 14 post-operatively was 8.34 +/- 20.80 photons/ms with 0.1% dexamethasone eye gel and 5.72 +/- 16.70 photons/ms with 1% prednisolone eye suspension. The mean reduction of inflammation severity score was 1.8 +/- 1.3 points in Group 1 and 2.0 +/- 1.1 points in Group 2. Intra-ocular pressure did not increase after treatment with 0.1% dexamethasone phosphate eye gel. Conclusion: the results of the study underline the protective effect of topically applied 0.1% dexamethasone phosphate eye gel on the blood-aqueous barrier. This drug is an effective and safe steroidal antiinflammatory agent for topical use following cataract surgery and intraocular lens implantation.

  DOI：

  10.1007/s004170100346
• 作为产物：
  描述：

  3-溴-4-羟基-5-甲氧基苯甲酸甲酯 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 caesium carbonate 、 三乙胺 、 sodium hydroxide 作用下， 以 1,4-二氧六环 、 乙醇 、 二氯甲烷 为溶剂， 反应 34.0h， 生成 3-methoxy-4,5-dimethylbenzoic acid
  参考文献：
  名称：

  [EN] Btk INHIBITORS WITH IMPROVED DUAL SELECTIVITY
  [FR] INHIBITEUR DE BTK AYANT UNE DOUBLE SÉLECTIVITÉ AMÉLIORÉE

  摘要：

  本文披露了一种具有改进的双重选择性的三取代苯基Btk抑制剂，以及用于抑制Btk和治疗与不良Btk活性相关的疾病（Btk相关疾病）的方法和组合物。

  公开号：

  WO2019034009A1

文献信息

• Method for producing compounds comprising nitrile functions
  申请人：RHODIA OPERATIONS

  公开号：US20140350265A1

  公开（公告）日：2014-11-27

  The present invention concerns the production of compounds comprising nitrite functions and cyclic imide compounds. More specifically, the invention relates to the production of compounds comprising nitrile functions from compounds comprising carboxylic functions, advantageously of natural and renewable origin, and from methyl-2 glutaronitrile (MGN) or a mixture N of dinitriles comprising methyl-2 glutaronitrile (MGN), ethyl-2 succinonitrile (ESN) and adiponitrile (AdN).

  本发明涉及含亚硝基功能和环亚酰胺化合物的生产。更具体地，本发明涉及从含羧基功能的化合物中生产含腈功能的化合物，有利地来自天然和可再生来源，并从甲基-2戊二腈（MGN）或含甲基-2戊二腈（MGN）、乙基-2琥珀二腈（ESN）和己二腈（AdN）的二腈混合物N中生产这些化合物。
• BTK inhibitors with improved dual selectivity
  申请人：BEIGENE, LTD.

  公开号：US11377449B2

  公开（公告）日：2022-07-05

  Disclosed herein is a tri-substituted phenyl Btk inhibitors with improved dual selectivity, a method and a composition for inhibiting Btk and treating disease associated with undesirable Btk activity (Btk-related diseases).

  本文公开了一种具有改进的双选择性的三取代苯基 Btk 抑制剂、一种用于抑制 Btk 和治疗与不良 Btk 活性有关的疾病（Btk 相关疾病）的方法和组合物。
• Photochemical Nitration by Tetranitromethane. Part XXXVII. Adduct Formation and the Regiochemistry of Attack of Trinitromethanide Ion on Radical Cations in the Photochemical Reactions of 2-Methyl-, 2,3-Dimethyl- and 2,4-Dimethylanisoles.
  作者：Craig P. Butts、Lennart Eberson、Michael P. Hartshorn、Ward T. Robinson、David J. Timmerman-Vaughan、Lauri Niinistö、Stenbjörn Styring、Cecilia Tommos、Kurt Warncke、Bryan R. Wood

  DOI：10.3891/acta.chem.scand.51-0073

  日期：——

  The photolysis of the charge transfer (CT) complex of tetranitromethane and 2-methylanisole 2 in dichloromethane at 20 degrees C gives the epimeric 1-methoxy-6-methyl-6-nitro-3-trinitromethylcyclohexa-1,4-dienes 8 and 9 in addition to 2-methyl-4-trinitromethylanisole (3) and 2-methyl-4-nitroanisole (4). In acetonitrile the yields of compound 4 and adducts 8 and 9 are significantly higher. Similar reaction of 2,3-dimethylanisole (6) in dichloromethane gave nitrotrinitromethyl adducts 10 and 11, hydroxy-trinitromethyl adducts 12 and 13, 2,3-dimethyl-5-trinitromethylanisole (14), 4-methoxy-2,3-dimethylbenzonitrile N-oxide (15), 2,3-dimethyl-4-trinitromethylanisole (16), 2,3-dimethyl-4-nitroanisole (17), 2,3-dimethyl-4,6-dinitrophenol (18), 3-methoxy-4,5-dimethyl-benzoic acid (19) and the hydroxy dinitro compound (20).The photolysis of the CT complex of 2,4-dimethylanisole (7) with tetranitromethane in dichloromethane gave the epimeric 1-methoxy-4,6-dimethyl-6-nitro-3-trinitromethylcyclohexa-1,4-dienes 21 and 22, together with 4,6-dimethyl-3-trinitromethylanisole (23), 4,6-dimethyl-2-nitrophenol (24), 4,6-dimethyl-2-trinitromethylanisole (25), 4,6-dimethyl-3-nitroanisole (26), 4,6-dimethyl-2-nitroanisole (27) and 4,6-dimethyl-4-nitrocyclohexa-2,5-dienone (28).The modes of formation of the above products are discussed, including the effects of the reaction solvent on those processes. The X-ray crystal structure of 1-methoxy-2-methyl-c-6-nitro-r-3-trinitromethylcyclohexa-1,4-diene (9) is reported.
• BTK INHIBITORS WITH IMPROVED DUAL SELECTIVITY
  申请人：BEIGENE, LTD.

  公开号：US20200181150A1

  公开（公告）日：2020-06-11

  Disclosed herein is a tri-substituted phenyl Btk inhibitors with improved dual selectivity, a method and a composition for inhibiting Btk and treating disease associated with undesirable Btk activity (Btk-related diseases).
• US9193676B2
  申请人：——

  公开号：US9193676B2

  公开（公告）日：2015-11-24