3-氟-4-甲基苯甲醇 | 192702-79-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-氟-4-甲基苯甲醇
• 英文名称: (3-fluoro-4-methylphenyl)methanol
• CAS: 192702-79-7
• 化学式: C₈H₉FO
• mdl: MFCD01631533
• 分子量: 140.157
• InChiKey: UUVJAGTYIVYFOS-UHFFFAOYSA-N

物化性质

• 熔点：
  33-36°C
• 沸点：
  212.8±25.0 °C(Predicted)
• 密度：
  1.132±0.06 g/cm3(Predicted)
• 稳定性/保质期：

  避氧化物

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 危险类别码：
  R36/37/38
• 海关编码：
  2906299090
• 危险类别：
  IRRITANT
• 安全说明：
  S26,S36
• 危险性防范说明：
  P264,P271,P302+P352,P305+P351+P338,P362,P403+P233,P501
• 危险性描述：
  H315,H319,H335

反应信息

• 作为反应物：
  描述：

  3-氟-4-甲基苯甲醇 在 吡啶 、 草酰氯 、 盐酸羟胺 、 三甲基铝 、 碳酸氢钠 、 二甲基亚砜 、 三乙胺 作用下， 以 异丙醇 为溶剂， 反应 49.25h， 生成 2-(3-fluoro-4-methylphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol
  参考文献：
  名称：

  1,2-Diarylimidazoles as Potent, Cyclooxygenase-2 Selective, and Orally Active Antiinflammatory Agents

  摘要：

  Series of 1,2-diarylimidazoles has been synthesized and found to contain highly potent and selective inhibitors of the human COX-2 enzyme. The paper describes a short synthesis of the target 1,2-diarylimidazoles starting with aryl nitriles. Different portions of the diarylimidazole (I) were modified to establish SAR. Systematic variations of the substituents in the aryl ring B have yielded very potent (IC50 = 10-100 nm) and selective (1000-12500) inhibitors of the COX-2 enzyme. The study on the influence of substituents in the imidazole ring established that a CF3 group at position 4 gives the optimum oral activity. A number of the diarylimidazoles showed excellent inhibition in the adjuvant induced arthritis model (e.g., ED50 = 0.02 mph for 22 and 34). The diarylimidazoles are also potent inhibitors of carrageenan-induced edema (ED50 = 9-30 mph) sind hyperalgesia (ED50 = 11-40 mpk). Several orally active diarylimidazoles show no GI toxicity in the rat and mouse up to 200 mpk.

  DOI：

  10.1021/jm9700225
• 作为产物：
  描述：

  3-氟-4-甲氧基苯甲醛 以 四氢呋喃 为溶剂， 生成 3-氟-4-甲基苯甲醇
  参考文献：
  名称：

  Gem-substituted &agr;v&bgr;3 antagonists

  摘要：

  本发明涉及一类由化学式I表示的化合物，或其药学上可接受的盐，包括化合物I的药物组合物，并且选择性地抑制或拮抗αVβ3和/或αVβ5整合素的方法。

  公开号：

  US06531494B1

文献信息

• Synthesis of 2,4-unsubstituted quinoline-3-carboxylic acid ethyl esters from arylmethyl azides via a domino process
  作者：Jumreang Tummatorn、Charnsak Thongsornkleeb、Somsak Ruchirawat、Tanita Gettongsong

  DOI：10.1039/c3ob27493d

  日期：——

  4-unsubstituted quinoline-3-carboxylic acid ethyl esters via a domino process is described. The synthesis employs arylmethyl azides as the precursor which undergoes an acid-promoted rearrangement to give an N-aryl iminium ion. Following the addition with ethyl 3-ethoxyacrylate, intramolecular electrophilic aromatic substitution, elimination and subsequent oxidation, the quinoline products were obtained

  描述了通过多米诺法方便地合成2，4-未取代的喹啉-3-羧酸乙酯。该合成使用芳基甲基叠氮化物作为前体，该前体经历酸促进的重排以产生N-芳基亚胺鎓离子。继加3-乙氧基丙烯酸乙酯，分子内亲电芳族取代，消除和随后的氧化，喹啉产物以中等至优异的产率获得。
• Sulfonamides
  申请人：Galley Guido

  公开号：US20060014945A1

  公开（公告）日：2006-01-19

  The invention relates to compounds of the general formula in which R 1 , R 2 , R3, R 4 , R 2′ , R3′, R 4′ , R 5 , and X is —CHR— are as defined in the specification. The invention also provides pharmaceutically acceptable acid addition salts, optically pure enantiomers, racemates and diastereomeric mixtures of such compounds. The invention further provides methods for the treatment of Alzheimer's disease or common cancers.

  该发明涉及一般式化合物，其中R1、R2、R3、R4、R2'、R3'、R4'、R5和X为规范中定义的—CHR—。该发明还提供药学上可接受的酸盐加合物，光学纯对映体，外消旋体和这类化合物的二对映异构体混合物。该发明还提供治疗阿尔茨海默病或常见癌症的方法。
• 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists
  申请人：Schering Corporation

  公开号：US20040220194A1

  公开（公告）日：2004-11-04

  Compounds having the structural formula I 1 or a pharmaceutically acceptable salt thereof, wherein R is 2 R 1 , R 2 , R 3 , R 4 and R 5 are H, alkyl or alkoxyalkyl; R 6 is H, alkyl, hydroxyalkyl or —CH 2 F; R 7 , R 8 and R 9 are H, alkyl, alkoxy, alkylthio, alkoxyalkyl, halo or —CF 3 ; and Z is optionally substituted aryl, heteroaryl or heteroaryl-alkyl are disclosed. Also disclosed is the use of compounds of formula I in the treatment of central nervous system diseases, in particular Parkinson's disease, alone or in combination with other agents for treating Parkinson's disease, and pharmaceutical compositions comprising them.

  具有结构式I或其药用可接受盐的化合物，其中R是R1，R2，R3，R4和R5为H，烷基或烷氧基烷基；R6为H，烷基，羟基烷基或—CH2F；R7，R8和R9为H，烷基，烷氧基，烷硫基，烷氧基烷基，卤素或—CF3；以及Z是可选择地取代的芳基，杂环芳基或杂环芳基烷基。还公开了化合物I的应用于治疗中枢神经系统疾病，特别是帕金森病，单独或与其他治疗帕金森病的药剂联合使用，以及包含它们的药物组合物。
• [EN] PYRROLE AND PYRAZOLE COMPOUNDS AND METHODS OF USE THEREOF<br/>[FR] COMPOSÉS PYRROLE ET PYRAZOLE ET LEURS PROCÉDÉS D'UTILISATION
  申请人：NUVATION BIO INC

  公开号：WO2020113094A1

  公开（公告）日：2020-06-04

  The disclosure relates to anti-cancer compounds derived from nuclear steroid receptor binders, to products containing the same, as well as to methods of their use and preparation. The present disclosure provides compounds having hormone receptor antagonist activity. These compounds can be useful in treating cancer, in particular those cancers which can be potentiated by AR and/or GR antagonism.

  该披露涉及从核类固醇受体结合物中衍生的抗癌化合物，以及含有这些化合物的产品，以及它们的使用和制备方法。本披露提供具有激素受体拮抗活性的化合物。这些化合物可用于治疗癌症，特别是那些可以通过AR和/或GR拮抗增强的癌症。
• [EN] PURINE DERIVATIVES, AS NR2B NEGATIVE MODULATORS AND THE USE THEREOF AS MEDICAMENT, IN PARTICULAR FOR TREATING DEPRESSIVE DISORDERS<br/>[FR] DÉRIVÉS DE PURINE, UTILISÉS EN TANT QUE MODULATEURS NÉGATIFS DE NR2B ET LEUR UTILISATION EN TANT QUE MÉDICAMENT, EN PARTICULIER POUR LE TRAITEMENT DE TROUBLES DÉPRESSIFS
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2020245136A1

  公开（公告）日：2020-12-10

  The present invention relates to novel purines of general formula A processes for their preparation, pharmaceutical compositions containing them and their use in therapy, particularly in the treatment or prevention of conditions having an association with NR2B negative allosteric modulating properties.

  本发明涉及一般式A的新型嘌呤化合物，以及它们的制备方法、含有它们的药物组合物以及它们在治疗中的应用，特别是在与NR2B负性变构调节性质相关的疾病的治疗或预防中的应用。