N-苯基-3-氟苯甲酰胺 | 1629-09-0

• 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: N-苯基-3-氟苯甲酰胺
• 英文名称: 3-fluoro-N-phenylbenzamide
• CAS: 1629-09-0
• 化学式: C₁₃H₁₀FNO
• mdl: MFCD00454558
• 分子量: 215.227
• InChiKey: STGITJSNRGHAQZ-UHFFFAOYSA-N

物化性质

• 沸点：
  257.3±23.0 °C(Predicted)
• 密度：
  1.247±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2924299090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: N-Phenyl 3-fluorobenzamide
Synonyms: 3-Fluoro-N-phenylbenzamide

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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: N-Phenyl 3-fluorobenzamide
CAS number: 1629-09-0

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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: C13H10FNO
Molecular weight: 215.2

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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：

  N-苯基-3-氟苯甲酰胺 在 氯化亚砜 作用下， 反应 16.0h， 生成 3-fluoro-N-phenylbenzenecarboximidoyl chloride
  参考文献：
  名称：

  [EN] 5-SUBSTITUTED 2-(PHENYLMETHYL) THIO-4-PHENYL-4H-1,2,4-TRIAZOLE DERIVATIVES AND RELATED COMPOUNDS AS GABA-AGONISTS FOR THE TREATMENT OF URINARY INCONTINENCE AND RELATED DISEASES
  [FR] DERIVES DE 2-(PHENYLMETHYL)THIO-4-PHENYL-4H-1,2,4-TRIAZOLE SUBSTITUES EN 5 ET COMPOSES ASSOCIES UTILISES EN TANT QUE GABA-AGONISTES DANS LE TRAITEMENT DE L'INCONTINENCE URINAIRE ET DES MALADIES ASSOCIEES

  摘要：

  本发明涉及式(I)的苯基三唑衍生物及其盐，其作为药物制剂的活性成分：（I）其中R1代表烷基，可选择地取代或3-8成员饱和或不饱和环，可选择地取代，R2代表-COR21，-(CH2)n-R21或叔丁基，X代表CR10R11，NR12，S，O，SO2或SO其中R10，R11和R12独立地代表氢或甲基。其他取代基如权利要求中所定义。本发明的苯基三唑衍生物具有出色的GABAb激动剂活性，并且可用于预防和治疗与GABAb活性相关的疾病，特别是用于治疗过度活动膀胱，尿失禁，如急迫性尿失禁，前列腺增生（BPH），慢性疼痛，神经痛，术后疼痛，类风湿关节炎疼痛，神经痛，神经病，疼痛或神经损伤。

  公开号：

  WO2005039569A1
• 作为产物：
  描述：

  N-苯基邻苯二甲酸单酰胺 在 N-甲基吡咯烷酮 、 [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂ 、 水 、 potassium carbonate 、 溶剂黄146 作用下， 反应 30.0h， 生成 N-苯基-3-氟苯甲酰胺
  参考文献：
  名称：

  揭露酰胺：N取代邻苯二甲酰亚胺衍生物的钌催化原羰基化

  摘要：

  使用钌催化剂，以高收率和较短的反应时间实现了单步操作中各种合成吸引力的邻苯二甲酰亚胺前所未有的转化为酰胺。机理研究表明，独特的均质途径涉及五元环的打开和CO 2的释放，其中水是质子的来源。

  DOI：

  10.1021/acs.orglett.7b03278

文献信息

• Efficient cobalt-catalyzed C–N cross-coupling reaction between benzamide and aryl iodide in water
  作者：Bryan Yong-Hao Tan、Yong-Chua Teo

  DOI：10.1039/c4ob01483a

  日期：——

  A practical and efficient strategy for the N-arylation of benzamide catalysed by a Co(C2O4)·2H2O/dmeda system in water is reported. Under the optimized conditions, a wide variety of N-arylated products were obtained in good yields (up to 92%) using substituted aryl iodides.

  报道了一种在水中Co（C 2 O 4）·2H 2 O / dmeda体系催化苯甲酰胺N-芳基化反应的实用有效策略。在优化的条件下，使用取代的芳基碘化物可以以高收率（高达92％）获得各种各样的N-芳基化产物。
• <i>para</i>-Selective copper-catalyzed C(sp²)–H amidation/dimerization of anilides <i>via</i> a radical pathway
  作者：Amol B. Viveki、Dnyaneshwar N. Garad、Rajesh G. Gonnade、Santosh B. Mhaske

  DOI：10.1039/c9cc09824k

  日期：——

  Copper-catalyzed amidation/dimerization of anilides via regioselective C(sp2)-H functionalization is achieved. The para-selective amidation is accomplished on the anilide aromatic ring via a radical pathway leading to C-N bond formation in the presence of ammonium persulfate as a radical source/oxidant for the copper catalyst. The developed protocol tolerates a wide range of anilide substrates. The

  通过区域选择性的C（sp2）-H功能化实现了铜催化的苯甲酰胺的酰胺化/二聚化。在过硫酸铵作为铜催化剂的自由基源/氧化剂的情况下，通过导致CN键形成的自由基途径，在苯胺芳环上完成对选择酰胺化。所开发的方案可耐受多种苯胺基体。区域选择性通过单晶X射线研究证实。
• Direct Access to Acylated Azobenzenes and Amide Compounds by Reaction of Azoarenes with Benzylic Ethers as Acyl Equivalents
  作者：Shengying Wu、Limin Wang、Gang Hong、Alfred Aruma、Xiaoyan Zhu

  DOI：10.1055/s-0035-1561380

  日期：——

  pathway for the Pd-catalyzed regiospecific ortho-acylation of azoarenes using benzylic ethers as acyl equivalents has been achieved. In the absence of palladium catalyst, amide compounds were formed by the reaction of azoarenes with benzylic ethers under certain conditions. Various mono-acylazobenzene and amide compounds were obtained in good yields (35 examples). The mono-acylated products and amide

  摘要 本文描述了首次在一个反应​​方案中使用偶氮苯的N = N双键作为导向基团和自由基受体。已经实现了使用苄基醚作为酰基当量的Pd催化的偶氮芳烃区域特异性邻位酰化的有效途径。在不存在钯催化剂的情况下，通过在一定条件下偶氮芳烃与苄基醚反应形成酰胺化合物。以高收率获得了各种单酰基唑苯和酰胺化合物（35个实例）。单酰化产物和酰胺产物可以通过钯催化剂容易地控制。 本文描述了首次在一个反应​​方案中使用偶氮苯的N = N双键作为导向基团和自由基受体。已经实现了使用苄基醚作为酰基当量的Pd催化的偶氮芳烃区域特异性邻位酰化的有效途径。在不存在钯催化剂的情况下，通过在一定条件下偶氮芳烃与苄基醚反应形成酰胺化合物。以高收率获得了各种单酰基唑苯和酰胺化合物（35个实例）。单酰化产物和酰胺产物可以通过钯催化剂容易地控制。
• NaF regulated aqueous phase synthesis of aromatic amides and imines catalyzed by Au/HT
  作者：Qianqian Wang、Youquan Deng、Feng Shi

  DOI：10.1039/c4cy00210e

  日期：——

  An Au/HT catalyst was found to be an efficient heterogeneous catalyst for the coupling reaction of aromatic alcohols and amines.

  一种Au/HT催化剂被发现是芳香醇和胺的偶联反应的高效杂化催化剂。
• Catalytic Amide-Directed Palladadesilylation-Alkenylation
  作者：John Brown、Waqar Rauf

  DOI：10.1055/s-0029-1218339

  日期：2009.12

  Palladium(II) complexes catalyse the amide-directed displacement of an aryl-Si group and its replacement by an electrophilic alkene at ambient temperature, analogous to an oxidative Heck reaction. A palladacyclic intermediate is involved, and the reaction enables substitution to occur specifically in the electron-poor ring of benzanilides. The procedure described provides a formal link between directed

  钯 (II) 配合物催化芳基-Si 基团的酰胺定向置换，并在环境温度下将其替换为亲电子烯烃，类似于氧化 Heck 反应。涉及钯环中间体，该反应使取代能够特异性地发生在苯甲酰苯胺的缺电子环中。所描述的程序提供了定向锂化和 Heck 反应之间的正式联系。

表征谱图