2-(4-氟苯基)噁唑 | 885268-39-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 2-(4-氟苯基)噁唑
• 中文别名: 2-(4-氟苯基)恶唑
• 英文名称: 2-(4-fluorophenyl)oxazole
• 英文别名: 2-(4-fluorophenyl)-1,3-oxazole
• CAS: 885268-39-3
• 化学式: C₉H₆FNO
• mdl: MFCD08234435
• 分子量: 163.151
• InChiKey: VIWONCNRYPUJLL-UHFFFAOYSA-N

物化性质

• 沸点：
  242.0±42.0 °C(Predicted)
• 密度：
  1.209±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  26
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2934999090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-(4-Fluorophenyl)oxazole
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

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Section 3. Composition/information on ingredients.
Ingredient name: 2-(4-Fluorophenyl)oxazole
CAS number: 885268-39-3

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Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

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Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

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Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

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Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels.
Storage:

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Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

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Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C9H6FNO
Molecular weight: 163.1

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Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen fluoride.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

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Section 14. Transportation information
Non-harzardous for air and ground transportation.

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Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2-(4-氟苯基)噁唑 在 N-溴代丁二酰亚胺(NBS) 、 溶剂黄146 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以90%的产率得到2-(4-fluorophenyl)-5-bromooxazole
  参考文献：
  名称：

  Orientation effects on C2(5)-C2ʹ(5ʹ) linked bioxazole isomers synthesized via regioselective and sequential C H arylation

  摘要：

  DOI：

  10.1016/j.cclet.2020.05.010
• 作为产物：
  描述：

  chlorozinc(1+),fluorobenzene 、 2-甲硫基噁唑 在 bis(triphenylphosphine)nickel(II) chloride 作用下， 以 四氢呋喃 为溶剂， 反应 6.0h， 以84.7%的产率得到2-(4-氟苯基)噁唑
  参考文献：
  名称：

  通过CS活化的镍催化的恶唑合成

  摘要：

  2-取代的恶唑的合成是通过镍催化的2-甲硫基恶唑与各种有机锌试剂的交叉偶联反应而完成的。不对称的2，5-二取代的恶唑的化学选择性，一锅法合成证明了该方法的扩展。用这种方法合成2-和2,5-取代的恶唑相对于这些化合物的先前方法提供了很大的优势，并且与当前的环脱水策略高度互补。

  DOI：

  10.1021/ol900260g

文献信息

• [EN] PYRIDINE DERIVATIVES<br/>[FR] DÉRIVÉS PYRIDINES
  申请人：ENDO PHARMACEUTICALS INC

  公开号：WO2013049559A1

  公开（公告）日：2013-04-04

  The present application provides novel pyridine compounds and pharmaceutically acceptable salts or prodrugs thereof. Also provided are methods for preparing these compounds. These compounds are useful in inhibiting CYP 17 activity by administering a therapeutically effective amount of one or more of the compounds to a patient. By doing so, these compounds are effective in treating conditions associated with CPY17 activity. A variety of conditions can be treated using these compounds and include diseases which are characterized by abnormal cellular proliferation. In one embodiment, the disease is cancer, such as prostate cancer.

  本申请提供了新型的吡啶化合物及其药用可接受的盐或前药。同时，还提供了制备这些化合物的方法。这些化合物通过向患者施用一种或多种化合物的治疗有效量，用于抑制CYP 17活性。通过这样做，这些化合物有效地治疗与CPY17活性相关的病症。可以使用这些化合物治疗多种病症，包括以异常细胞增殖为特征的疾病。在一个实施例中，所述疾病为癌症，如前列腺癌。
• OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH
  申请人：CHOBANIAN Harry

  公开号：US20110021531A1

  公开（公告）日：2011-01-27

  The present invention is directed to certain oxazole derivatives which are useful as inhibitors of Fatty Acid Amide Hydrolase (FAAH). The invention is also concerned with pharmaceutical formulations comprising these compounds as active ingredients and the use of the compounds and their formulations in the treatment of certain disorders, including osteoarthritis, rheumatoid arthritis, diabetic neuropathy, postherpetic neuralgia, skeletomuscular pain, and fibromyalgia, as well as acute pain, migraine, sleep disorder, Alzheimer Disease, and Parkinson's Disease.

  本发明涉及某些噁唑衍生物，其可用作脂肪酸酰胺水解酶（FAAH）的抑制剂。该发明还涉及包含这些化合物作为活性成分的药物配方，以及这些化合物及其配方在治疗某些疾病中的使用，包括骨关节炎、类风湿性关节炎、糖尿病神经病变、带状疱疹后神经痛、骨骼肌肉疼痛和纤维肌痛，以及急性疼痛、偏头痛、睡眠障碍、阿尔茨海默病和帕金森病。
• Warming Up to Oxazole: Noncryogenic Oxazole Metalation and Negishi Coupling Development
  作者：Michael J. Geier、Xiaotian Wang、Luke D. Humphreys、Selcuk Calimsiz、Mark E. Scott

  DOI：10.1055/s-0037-1611909

  日期：2019.9

  details the development of several suitable noncryogenic metalation conditions for the synthesis of oxazole zincate. Subsequent rounds of high-throughput catalyst screening ultimately led to the identification of several suitable Pd sources that can be used for the Negishi coupling of unsubstituted oxazole. The scope and generality for one of the reported conditions is also presented.

  本报告详细介绍了用于合成恶唑锌酸盐的几种合适的非低温金属化条件的开发。随后几轮高通量催化剂筛选最终导致了几种合适的 Pd 源的鉴定，这些 Pd 源可用于未取代恶唑的 Negishi 偶联。还介绍了报告条件之一的范围和一般性。
• PYRIDINE DERIVATIVES
  申请人：Asana BioSciences, LLC

  公开号：US20170073339A1

  公开（公告）日：2017-03-16

  The present application provides novel pyridine compounds and pharmaceutically acceptable salts or prodrugs thereof. Also provided are methods for preparing these compounds. These compounds are useful in inhibiting CYP17 activity by administering a therapeutically effective amount of one or more of the compounds to a patient. By doing so, these compounds are effective in treating conditions associated with CYP17 activity. A variety of conditions can be treated using these compounds and include diseases which are characterized by abnormal cellular proliferation. In one embodiment, the disease is cancer, such as prostate cancer.

  本申请提供了新型吡啶化合物及其药学上可接受的盐或前药。还提供了制备这些化合物的方法。通过向患者投入一种或多种化合物的治疗有效剂量，这些化合物可用于抑制CYP17活性。通过这样做，这些化合物可有效治疗与CYP17活性有关的疾病。这些化合物可用于治疗多种疾病，包括以异常细胞增殖为特征的疾病。在一种实施方式中，该疾病是癌症，如前列腺癌。
• PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF PAIN AND OTHER INDICATIONS
  申请人：Chobanian Harry R.

  公开号：US20130030000A1

  公开（公告）日：2013-01-31

  The present invention is directed to a composition useful for the treatment of a FAAH mediated disease, disorder or conditions comprising a FAAH inhibitor and a second activation, comprising a selected imidazole or oxazole FAAH inhibitor and a second active agent. The compositions will be useful in the treatment of a wide range of disease, disorder, or conditions including osteoarthritis, rheumatoid arthritis, diabetic neuropathy, postherpetic neuralgia, skeletomuscular pain, and fibromyalgia, as well as acute pain, migraine, sleep disorder, Alzheimer disease, and Parkinson's disease. In another aspect the invention discloses herein is directed to compositions useful in the treatment of neuropathic and nociceptive pain, said compositions comprising etoricoxib.

  本发明涉及一种用于治疗FAAH介导的疾病、疾病或病况的组合物，包括FAAH抑制剂和第二激活剂，包括选择的咪唑或噁唑FAAH抑制剂和第二活性剂。这些组合物将有助于治疗广泛的疾病、疾病或病况，包括骨关节炎、类风湿性关节炎、糖尿病神经病变、带状疱疹后神经痛、骨骼肌疼痛和纤维肌痛，以及急性疼痛、偏头痛、睡眠障碍、阿尔茨海默病和帕金森病。在另一个方面，本发明揭示了用于治疗神经病理性和伤害性疼痛的组合物，其中包括依托考昔。