(4-氟苯基)-(4-甲氧基苯基)甲醇 | 1426-55-7

• 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: (4-氟苯基)-(4-甲氧基苯基)甲醇
• 中文别名: 4-氟-4'-甲氧基苯氢
• 英文名称: (4-fluorophenyl)(4-methoxyphenyl)methanol
• 英文别名: (4-fluorophenyl)-(4-methoxyphenyl)methanol
• CAS: 1426-55-7
• 化学式: C₁₄H₁₃FO₂
• 分子量: 232.254
• InChiKey: OPFPEZAJZHPSJX-UHFFFAOYSA-N

物化性质

• 沸点：
  363.9±37.0 °C(Predicted)
• 密度：
  1.189±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2909499000

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: (4-Fluorophenyl)(4-methoxyphenyl)methanol
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: (4-Fluorophenyl)(4-methoxyphenyl)methanol
CAS number: 1426-55-7

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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: C14H13FO2
Molecular weight: 232.3

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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, 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：

  (4-氟苯基)-(4-甲氧基苯基)甲醇 生成 1-(4-氟苄基)-4-甲氧基苯
  参考文献：
  名称：

  19 F核磁共振研究芳族化合物。第三部分 取代基效应跨桥环系统的传递

  摘要：

  几个系列的类型的双核桥接的芳族化合物的合成中p -F·C 6 H ^ 4 ·Z·C 6 H ^ 4 ·X- p [Z =清一色反式- ·CH CH-CH CH·，C CH 2，CH 2，CH（OH），CMe（OH），– O–或–S–；描述了X ＝ NH 2，OMe，H，F，Cl或NO 2 ]。在19这些化合物的F nmr光谱用于检查由于基团X跨桥Z引起的电子效应的“透射”。在“透射效应”之间进行了区分，其中电子密度可以认为是从一个相互影响和“继电器效应”，其中可能没有电子密度的净转移。

  DOI：

  10.1039/p29720001988
• 作为产物：
  描述：

  4-氟-4'-甲氧基二苯甲酮 在 lithium aluminium tetrahydride 作用下， 生成 (4-氟苯基)-(4-甲氧基苯基)甲醇
  参考文献：
  名称：

  19 F核磁共振研究芳族化合物。第三部分 取代基效应跨桥环系统的传递

  摘要：

  几个系列的类型的双核桥接的芳族化合物的合成中p -F·C 6 H ^ 4 ·Z·C 6 H ^ 4 ·X- p [Z =清一色反式- ·CH CH-CH CH·，C CH 2，CH 2，CH（OH），CMe（OH），– O–或–S–；描述了X ＝ NH 2，OMe，H，F，Cl或NO 2 ]。在19这些化合物的F nmr光谱用于检查由于基团X跨桥Z引起的电子效应的“透射”。在“透射效应”之间进行了区分，其中电子密度可以认为是从一个相互影响和“继电器效应”，其中可能没有电子密度的净转移。

  DOI：

  10.1039/p29720001988

文献信息

• Arylation of Carbonyl Compounds Catalyzed by Rhodium and Iridium 1,3-R₂-Tetrahydropyrimidin-2-ylidenes: Structure-Reactivity Correlations
  作者：Nicolas Imlinger、Monika Mayr、Dongren Wang、Klaus Wurst、Michael R. Buchmeiser

  DOI：10.1002/adsc.200404176

  日期：2004.12

  reaction of 1.0 equivalents of CF3COOAg with 1. The use of an excess of CF3COOAg resulted in the replacement of Rh(I) by Ag(I) and yielded Ag(1,3-dimesityltetrahydropyrimidin-2-ylidene)+Rh2(CF3COO)3(COD)− (8). Compounds 4 and 8 were characterized by X-ray analysis. The activity of the rhodium complexes increased in the order 5>3>1>2, indicating the necessity of strongly electron-withdrawing groups at the metal

  六个不同的明确定义的铑和铱N-杂环卡宾配合物，即RhCl（1,3-dimesityltetrahydropyrimidin-2- ylidene ）（COD）（1），RhBr（1,3-dimesityltetrahydropyrimidin-2-ylidene）（COD） （2），RhCl [1,3-二（2-丙基）四氢嘧啶-2-亚基]（COD）（3），IrCl（1,3-二甲基四氢嘧啶-2-亚基）（COD）（4），Rh（ CF 3 COO）（1,3-二甲基四氢嘧啶-2-亚基）（COD）（5）和IrBr [1,3-二（2-丙基）四氢嘧啶-2-亚基]（COD）（6）（COD = 1,5-环辛二烯，1,5-环辛二烯= 2,4,6-三甲基苯基）已被用作使用不同的芳基硼酸将醛和α，β-不饱和酮芳基化的催化剂。化合物1– 4和6分别通过[RhCl（COD）] 2和[IrCl（COD）] 2与碱和相应的1
• Rh(1,3-bis(2,4,6-trimethylphenyl)-3,4,5,6-tetrahydropyrimidin-2-ylidene)(COD) tetrafluoroborate, an unsymmetrical Rh-homoazallylcarbene: synthesis, X-ray structure and reactivity in carbonyl arylation and hydrosilylation reactions
  作者：Nicolas Imlinger、Klaus Wurst、Michael R. Buchmeiser

  DOI：10.1016/j.jorganchem.2004.11.057

  日期：2005.10

  The synthesis of novel Rh(1,3-bis(2,4,6-trimethylphenyl)-3,4,5,6-tetrahydropyrimidin-2-ylidene)(COD) tetrafluoroborate (1, COD = η4-1,5-cyclooctadiene) is described. The N-heterocyclic carbene acts as a bidentate ligand with the carbene coordinating to the Rh(I) center and an arene group acting as a homoazallyl ligand. 1 was used in various carbonyl arylation and hydrosilylation reactions allowing

  新颖的Rh的合成（1,3-双（2,4,6-三甲基苯基）-3,4,5,6-四氢嘧啶-2-亚基）（COD）四氟硼酸盐（1，COD =η 4 -1,5- -环辛二烯）。的Ñ -杂环卡宾充当与卡宾配位到的Rh（I）中心和一个芳烃基团充当homoazallyl配体的二齿配体。1被用于各种羰基芳基化和氢化硅烷化反应中，从而以前所未有的选择性和效率形成所需的产物。因此，获得了高达2000的周转数（TONs）。
• Tritylium assisted iodine catalysis for the synthesis of unsymmetrical triarylmethanes
  作者：Thibaut Courant、Marine Lombard、Dina V. Boyarskaya、Luc Neuville、Géraldine Masson

  DOI：10.1039/d0ob01502d

  日期：——

  The combined Lewis acid catalytic system, generated from molecular iodine and tritylium tetrafluoroborate effectively catalyzed the Friedel–Crafts (FC) arylation of diarylmethyl sulfides providing an efficient access to various unsymmetrical triarylmethanes. The addition of tritylium and iodine created a more active catalytic system to promote the cleavage of sulfidic C–S bonds.

  由分子碘和四氟硼酸三苯甲基酯生成的组合路易斯酸催化体系有效地催化二芳基甲基硫醚的傅克（FC）芳基化，从而有效地获得各种不对称三芳基甲烷。三苯甲基和碘的添加创造了一个更活跃的催化体系，以促进硫化 C-S 键的断裂。
• Facile Preparation of α-Aryl Nitriles by Direct Cyanation of Alcohols with TMSCN Under the Catalysis of InX₃
  作者：Gang Chen、Zheng Wang、Jiang Wu、Kuiling Ding

  DOI：10.1021/ol801812a

  日期：2008.10.16

  A convenient and efficient synthesis of alpha-aryl nitriles was developed by direct cyanation of alcohols with TMSCN under the catalysis of Lewis acid. Using 5-10 mol % of InBr3 as the catalyst, a variety of benzylic alcohols can be converted to the corresponding nitriles in 5-30 min with yields of 46-99%.

  通过在路易斯酸的催化下用TMSCN对醇进行直接氰化，开发了一种便捷高效的α-芳基腈合成方法。使用5-10 mol％的InBr3作为催化剂，各种苄醇可在5-30分钟内转化为相应的腈，收率为46-99％。
• Sodium Bisulfite: An Efficient Catalyst for Ether Formation via Dehydration of Aromatic/Aliphatic Alcohol
  作者：Hui Wang、Xingfei Zhu、Yangning Lu、Yue Li、Xiang Gao

  DOI：10.1002/cjoc.201190220

  日期：2011.6

  Straightforward etherification of benzyl alcohols (1) via intermolecular dehydration can be efficiently catalyzed by sodium bisulfite under solvent‐free conditions. In the presence of 0.3 mol% or 0.6 mol% amount of sodium bisulfite, symmetric and unsymmetric ethers are prepared from the corresponding alcohols in high yields (up to 95%). Etherification of benzhydryl alcohols is also discussed.

  亚硫酸氢钠在无溶剂条件下可通过分子间脱水直接催化苄醇（1）的醚化反应。在存在0.3mol％或0.6mol％量的亚硫酸氢钠的情况下，由相应的醇以高产率（高达95％）制备对称和不对称醚。还讨论了苯甲醇的醚化。