ethyl 4-fluoro-3-methylbenzoate | 148541-58-6

• 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: ethyl 4-fluoro-3-methylbenzoate
• CAS: 148541-58-6
• 化学式: C₁₀H₁₁FO₂
• 分子量: 182.195
• InChiKey: WKQSXJMUQXYURR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  ethyl 4-fluoro-3-methylbenzoate 在 dipotassium peroxodisulfate 、 [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂ 、 三氟乙酸 、 三氟乙酸酐 作用下， 反应 11.0h， 以52%的产率得到ethyl 4-fluoro-2-hydroxy-5-methylbenzoate
  参考文献：
  名称：

  Ruthenium(II)-Catalyzed Synthesis of Hydroxylated Arenes with Ester as an Effective Directing Group

  摘要：

  An unprecedented Ru(II) catalyzed ortho-hydroxylation has been developed for the facile synthesis of a variety of multifunctionalized arenes from easily accessible ethyl benzoates with ester as an efficient directing group. Both the TFA/TFAA cosolvent system and oxidants serve as the critical success factors in this transformation. The reaction demonstrates excellent reactivity, good functional group tolerance, and high yields.

  DOI：

  10.1021/ol301104n
• 作为产物：
  描述：

  4-氟-3-甲基-苯甲酸 在 碳酸氢钠 、 硫酸 作用下， 以 乙醇 为溶剂， 生成 ethyl 4-fluoro-3-methylbenzoate
  参考文献：
  名称：

  EP2050446

  摘要：

  公开号：

文献信息

• Imidazole lipoxygenase inhibitors
  申请人：Pfizer Inc.

  公开号：US05753682A1

  公开（公告）日：1998-05-19

  Certain novel imidazole derivatives having the ability to inhibit the lipoxygenase enzyme and having formula (I), wherein Y is hydrogen, C.sub.1 -C.sub.8 alkyl, halosubstituted C.sub.1 -C.sub.4 alkyl, phenyl, substituted phenyl, C.sub.7 -C.sub.14 phenylalkyl, C.sub.7 -C.sub.14 (substituted phenyl)alkyl, pyridyl, substituted pyridyl, C.sub.6 -C.sub.13 pyridylalkyl or C.sub.6 -C.sub.13 (substituted pyridyl)alkyl, wherein each substituent is independently halo, nitro, cyano, C.sub.1 -C.sub.4 alkyl, C.sub.1 -C.sub.4 alkoxy, halosubstituted C.sub.1 -C.sub.4 alkyl, halosubstituted C.sub.1 -C.sub.4 alkoxy, NR.sup.4 R.sup.5, CO.sub.2 R.sup.4 or CONR.sup.4 R.sup.5, wherein R.sup.4 and R.sup.5 are each, independently, hydrogen or C.sub.1 -C.sub.6 alkyl; Ar.sup.1 and Ar.sup.2 are each, independently, phenylene, mono-substituted phenylene or di-substituted phenylene, wherein the substituents are, independently, halo, C.sub.1 -C.sub.4 alkyl, C.sub.1 -C.sub.4 alkoxy, halo-substituted C.sub.1 -C.sub.4 alkyl or halo-substituted C.sub.1 -C.sub.4 alkoxy; X and X.sup.1 are each, independently, O, S, SO or SO.sub.2 ; R' is hydrogen or C.sub.1 -C.sub.4 alkyl; and R.sup.2 and R.sup.3 are each, independently, methylene, ethylene or propylene. These compounds are useful for the treatment of disease states such as bronchial asthma, skin disorders and arthritis in mammals, and as the active ingredient in pharmaceutical compositions for treating such conditions.

  具有抑制脂氧酶酶活性能力的某些新型咪唑衍生物具有以下结构式（I），其中Y为氢、C.sub.1 -C.sub.8烷基、卤代C.sub.1 -C.sub.4烷基、苯基、取代苯基、C.sub.7 -C.sub.14苯基烷基、C.sub.7 -C.sub.14（取代苯基）烷基、吡啶基、取代吡啶基、C.sub.6 -C.sub.13吡啶基烷基或C.sub.6 -C.sub.13（取代吡啶基）烷基，其中每个取代基独立地为卤素、硝基、氰基、C.sub.1 -C.sub.4烷基、C.sub.1 -C.sub.4烷氧基、卤代C.sub.1 -C.sub.4烷基、卤代C.sub.1 -C.sub.4烷氧基、NR^4R^5、CO_2R^4或CONR^4R^5，其中R^4和R^5各自独立地为氢或C.sub.1 -C.sub.6烷基；Ar^1和Ar^2各自独立地为苯基、单取代苯基或双取代苯基，其中取代基各自独立地为卤素、C.sub.1 -C.sub.4烷基、C.sub.1 -C.sub.4烷氧基、卤代C.sub.1 -C.sub.4烷基或卤代C.sub.1 -C.sub.4烷氧基；X和X^1各自独立地为O、S、SO或SO_2；R'为氢或C.sub.1 -C.sub.4烷基；R^2和R^3各自独立地为亚甲基、乙烯基或丙烯基。这些化合物可用于治疗哺乳动物的疾病状态，如支气管哮喘、皮肤疾病和关节炎，并作为治疗这些疾病条件的药物组合物中的活性成分。
• AMINOAMIDES AS OREXIN ANTAGONISTS
  申请人：Gobbi Luca

  公开号：US20080221166A1

  公开（公告）日：2008-09-11

  The present invention relates to compounds of formula I wherein Ar 1 , Ar 2 , Ar 3 , n, and R 1 to R 8 are as defined herein and to pharmaceutically suitable acid addition salts, optically pure enantiomers, racemates or diastereomeric mixtures thereof. These compounds are orexin receptor antagonists and may be useful in the treatment of disorders, in which orexin pathways are involved, like sleep disorders.

  本发明涉及具有以下结构的化合物（I）其中Ar1，Ar2，Ar3，n和R1至R8的定义如本文所述，并且涉及其药用适宜的酸加盐、光学纯对映体、混合物或二对映异构体。这些化合物是促进睡眠的受体拮抗剂，可能在涉及促进睡眠途径的疾病治疗中有用，如睡眠障碍。
• GLUCOKINASE ACTIVATORS
  申请人：Aicher Thomas D.

  公开号：US20090247526A1

  公开（公告）日：2009-10-01

  Provided are compounds of formula I wherein R 2 , L, Z, Y, G and R 1 are as defined herein, that are useful in the treatment and/or prevention of diseases or disorders mediated by deficient levels of glucokinase activity or which can be treated by activating glucokinase including, but not limited to, diabetes mellitus, impaired glucose tolerance, IFG (impaired fasting glucose) and IFG (impaired fasting glycemia), as well as other diseases and disorders such as those discussed herein.

  提供了化合物I的公式，其中R2、L、Z、Y、G和R1的定义如此处所述，这些化合物在治疗和/或预防由葡萄糖激酶活性不足介导的疾病或疾病中有用，或者可以通过激活葡萄糖激酶来治疗，包括但不限于糖尿病、糖耐量受损、IFG（空腹血糖受损）和IFG（空腹高血糖）以及其他疾病和疾病，如本文所讨论的。
• SULFONAMIDE COMPOUND OR SALT THEREOF
  申请人：Kubota Hideki

  公开号：US20090312328A1

  公开（公告）日：2009-12-17

  [Object] A compound that can be used as an agent for treating a disease associated with an EP1 receptor, in particular, a lower urinary tract symptom. [Means for Solution] It was confirmed that a sulfonamide compound having an amide structure and characterized by a chemical structure in which a carbon atom in the amide bonds to the N atom in sulfonamide through lower alkylene, or a salt thereof, has a potent EP1 receptor antagonistic activity, accomplishing the present invention. Since the sulfonamide compound of the present invention or a pharmaceutically acceptable salt thereof has a potent EP1 receptor antagonistic activity, it is useful as an agent for treating a disease associated with an EP1 receptor, in particular, a lower urinary tract symptom.

  [物品] 一种化合物，可用作治疗与EP1受体相关的疾病的药剂，特别是下尿路症状的药剂。 [解决方案的手段] 确认了一种磺酰胺化合物，具有酰胺结构，其化学结构中的碳原子通过较低的烷基与磺酰胺中的N原子结合，或其盐，具有强大的EP1受体拮抗活性，从而实现了本发明。由于本发明的磺酰胺化合物或其药学上可接受的盐具有强大的EP1受体拮抗活性，因此它可用作治疗与EP1受体相关的疾病的药剂，特别是下尿路症状的药剂。
• 2-AMINOPYRIDINE DERIVATIVES AS GLUCOKINASE ACTIVATORS
  申请人：Aicher Thomas Daniel

  公开号：US20100099713A1

  公开（公告）日：2010-04-22

  Provided are compounds having the Formula I or salts thereof, wherein R 2 , L, R 3 , R 11 , D 2 and R 13 are as defined herein, that are useful in the treatment and/or prevention of diseases mediated by deficient levels of glucokinase activity, such as diabetes mellitus. Also provided are methods of treating or preventing diseases and disorders characterized by underactivity of glucokinase or which can be treated by activating glucokinase.

  提供的化合物具有I式或其盐，其中R2、L、R3、R11、D2和R13的定义如本文所述，可用于治疗和/或预防由葡萄糖激酶活性不足引起的疾病，如糖尿病。还提供了治疗或预防由葡萄糖激酶活性不足或可以通过激活葡萄糖激酶治疗的疾病和疾病的方法。