(3-氟-5-甲基苯基)甲醇 | 518070-20-7

• 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-5-甲基苯基)甲醇
• 中文别名: 3-氟-5-甲基苄醇
• 英文名称: 3-fluoro-5-methylbenzyl alcohol
• 英文别名: (3-fluoro-5-methylphenyl)methanol
• CAS: 518070-20-7
• 化学式: C₈H₉FO
• 分子量: 140.157
• InChiKey: NFWAPXBWQXGLFJ-UHFFFAOYSA-N

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

• 海关编码：
  2906299090
• 危险性防范说明：
  P261,P264,P270,P271,P280,P301+P312,P302+P352,P304+P340,P305+P351+P338,P330,P332+P313,P337+P313,P362,P403+P233,P405,P501
• 危险性描述：
  H315,H319,H335

反应信息

• 作为反应物：
  描述：

  (3-氟-5-甲基苯基)甲醇 在 三溴化磷 作用下， 以 甲苯 为溶剂， 反应 3.08h， 以38%的产率得到3-氟-5-甲基苄基溴化物
  参考文献：
  名称：

  Development of a Phase-Transfer-Catalyzed, [2,3]-Wittig Rearrangement

  摘要：

  An investigation into the use of phase-transfer catalysis for the [2,3]-sigmatropic rearrangement of allyloxy carbonyl compounds is described. Initial studies focused on identifying viable substrate classes that would undergo selective [2,3]-rearrangement under phase-transfer catalysis. Under certain conditions, the [2,3]-sigmatropic rearrangement of allyloxy carbonyl compounds takes place in the presence of a phase-transfer agent, providing a rare example of a phase-transfer-catalyzed unimolecular reaction. In the course of this investigation, it was found that catalysis is dependent on several variables including base concentration, catalyst structure, and substrate lipophilicity. Preliminary testing of chiral, nonracemic phase-transfer catalysts has shown promising levels of enantioselectivity for future development.

  DOI：

  10.1021/acs.joc.5b01759
• 作为产物：
  描述：

  3-氟--5-甲基苯甲醛 在 sodium tetrahydroborate 作用下， 以 乙醇 为溶剂， 反应 2.25h， 生成 (3-氟-5-甲基苯基)甲醇
  参考文献：
  名称：

  Development of a Phase-Transfer-Catalyzed, [2,3]-Wittig Rearrangement

  摘要：

  An investigation into the use of phase-transfer catalysis for the [2,3]-sigmatropic rearrangement of allyloxy carbonyl compounds is described. Initial studies focused on identifying viable substrate classes that would undergo selective [2,3]-rearrangement under phase-transfer catalysis. Under certain conditions, the [2,3]-sigmatropic rearrangement of allyloxy carbonyl compounds takes place in the presence of a phase-transfer agent, providing a rare example of a phase-transfer-catalyzed unimolecular reaction. In the course of this investigation, it was found that catalysis is dependent on several variables including base concentration, catalyst structure, and substrate lipophilicity. Preliminary testing of chiral, nonracemic phase-transfer catalysts has shown promising levels of enantioselectivity for future development.

  DOI：

  10.1021/acs.joc.5b01759

文献信息

• [EN] (AZA)INDAZOLYL-ARYL SULFONAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS<br/>[FR] (AZA) INDAZOLYL-ARYLE SULFONAMIDE ET COMPOSÉS APPARENTÉS ET LEUR UTILISATION DANS LE TRAITEMENT D'ÉTATS MÉDICAUX
  申请人：HIBERCELL INC

  公开号：WO2020210828A1

  公开（公告）日：2020-10-15

  The invention provides (aza)indazolyl-aryl sulfonamide and related compounds, pharmaceutical compositions, and their use in the treatment of medical conditions, such as cancer, and in inhibiting GCN2 activity.

  这项发明提供了(aza)吲哚基芳基磺酰胺及相关化合物、药物组合物，以及它们在治疗医疗状况（如癌症）和抑制GCN2活性中的用途。
• [EN] PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF<br/>[FR] COMPOSÉS DE PYRAZOLE UTILISÉS EN TANT QUE MODULATEURS DE FSHR ET LEURS UTILISATIONS
  申请人：TOCOPHERX INC

  公开号：WO2015196759A1

  公开（公告）日：2015-12-30

  Disclosed are pyrazole compounds, and pharmaceuticaly acceptable compositions thereof. The compounds and the compositions can be used for positive allosteric modulators of follicle stimulating hormone receptor (FSHR).

  揭示了吡唑化合物及其药用组合物。这些化合物和组合物可用作促卵泡激素受体（FSHR）的阳性变构调节剂。
• Organic Compounds
  申请人：Shaw Duncan

  公开号：US20100210641A1

  公开（公告）日：2010-08-19

  Compounds of formula I: in free or salt or solvate form, where R 1 , R 2 , R 3 and R 20 have the meanings as indicated in the specification, are useful for treating diseases mediated by the ALK-5 and/or ALK-4 receptor. Pharmaceutical compositions that contain the compounds and processes for preparing the compounds are also described. These compounds are useful for the treatment of inflammatory or obstructive airways diseases such as pulmonary hypertension, pulmonary fibrosis, liver fibrosis, cancer, muscle diseases such as muscle atrophies and muscle dystrophies, and systemic skeletal disorders such as osteoporosis.

  式I的化合物：以自由或盐或溶剂形式存在，其中R1，R2，R3和R20具有规范中指定的含义，可用于治疗由ALK-5和/或ALK-4受体介导的疾病。还描述了含有这些化合物的制药组合物和制备这些化合物的方法。这些化合物对于治疗炎症或阻塞性呼吸道疾病，如肺动脉高压，肺纤维化，肝纤维化，癌症，肌肉疾病，如肌肉萎缩和肌肉营养不良，以及全身性骨骼疾病，如骨质疏松症非常有用。
• HYDRAZINE AMIDE DERIVATIVE
  申请人：Shionogi&Co., Ltd.

  公开号：EP2062878A1

  公开（公告）日：2009-05-27

  Disclosed is a novel compound having an NPY Y5 receptor antagonistic activity. A compound represented by the formula: a pharmaceutically acceptable salt or solvate thereof, wherein R1 is optionally substituted lower alkyl or the like, R2 and R8 are each independently hydrogen or lower alkyl, X is optionally substituted lower alkylene or the like, Y is -OCONR7- or the like, R7 is hydrogen, lower alkyl or the like, Z is optionally substituted carbocyclyl or the like, W is optionally substituted alkylene or the like.

  公开了一种具有 NPY Y5 受体拮抗活性的新型化合物。 一种由式表示的化合物： 其药学上可接受的盐或溶液、 其中 R1 是任选取代的低级烷基或类似物、 R2 和 R8 各自独立地为氢或低级烷基、 X 是任选取代的低级亚烷基或类似物、 Y 是 -OCONR7- 或类似物、 R7 是氢、低级烷基或类似物、 Z 是任选取代的羰基或类似物、 W 是任选取代的亚烷基或类似物。
• IMIDAZO [1,2-A] PYRIDINE DERIVATIVES USEFUL AS ALK INHIBITORS
  申请人：Novartis AG

  公开号：EP2212323B1

  公开（公告）日：2012-08-15