2,3-二氟苯丁醚 | 136239-66-2

• 物质功能分类: 有机原料 - 醚类化合物及其衍生物
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 2,3-二氟苯丁醚
• 中文别名: 1-丁氧基-2,3-二氟苯
• 英文名称: 2,3-difluorophenyl butyl ether
• 英文别名: 1-Butoxy-2,3-Difluorobenzene
• CAS: 136239-66-2
• 化学式: C₁₀H₁₂F₂O
• mdl: MFCD07368738
• 分子量: 186.201
• InChiKey: HYDIPEHDSUNHPA-UHFFFAOYSA-N

物化性质

• 沸点：
  110°C/20mmHg(lit.)
• 密度：
  1.086±0.06 g/cm3(Predicted)
• LogP：
  4 at 25℃

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2909309090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  2-8°C

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 1-Butoxy-2,3-difluorobenzene
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: 1-Butoxy-2,3-difluorobenzene
CAS number: 136239-66-2

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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: C10H12F2O
Molecular weight: 186.2

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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, 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

制备方法与用途

用途

2,3-二氟苯丁醚是一种常用的化工原料。

制备

一种新型的2,3-二氟苯丁醚合成方法，直接利用正丁醇和氢氧化钾进行醚化反应生成醚化物，再经过还原、重氮化脱氨基等工序最终得到2,3-二氟苯丁醚。该工艺方法简单易操作，并且显著降低了生产成本。

反应信息

• 作为反应物：
  描述：

  2,3-二氟苯丁醚 在 Oxone 、 甲酸 、 potassium tert-butylate 、 仲丁基锂 、 对甲苯磺酸 作用下， 以 四氢呋喃 、 正己烷 、 环己烷 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 93.5h， 生成 trans-4-(4-hexyloxy-2,3-difluorophenyl)-cyclohexylcarboxylic acid
  参考文献：
  名称：

  JP5672043

  摘要：

  公开号：
• 作为产物：
  描述：

  正溴丁烷 、 2,3-二氟苯酚 在 sodium hydroxide 作用下， 以 水 为溶剂， 反应 2.0h， 以80%的产率得到2,3-二氟苯丁醚
  参考文献：
  名称：

  TRICYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE

  摘要：

  公开号：

  EP2266941B1

文献信息

• 一种1-烷氧基氟代苯类化合物的制备方法
  申请人：浙江永太科技股份有限公司

  公开号：CN104529723B

  公开（公告）日：2016-06-29

  本发明涉及一种1-烷氧基氟代苯类化合物的制备方法，包括如下步骤：(1)将氟代苯酚及无机碱反应生成氟代苯酚的碱金属盐；(2)滴加卤代烷烃，生成1-烷氧基氟代苯及盐。本发明方法工艺简单，操作方便，所得产品纯度高，收率高，且环境污染小，适合工业化大生产。
• Synthesis and physical properties of novel liquid crystals containing 2,3-difluorophenyl and 1,3-dioxane units
  作者：Gui-Xiang Sun、Bing Chen、Hong Tang、Shou-Yi Xu

  DOI：10.1039/b210765a

  日期：2003.3.19

  Three series of liquid crystalline materials have been synthesized: 2-(2,3-difluoro-4-alkoxyphenyl)-5-(4-alkylphenyl)-1,3-dioxanes (m,On-DFPPD), 2-(2,3-Difluoro-4-alkoxyphenyl)-5-(2-fluoro-4-alkylphenyl)-1,3-dioxanes (m,On-DFPFPD) and 2-(2,3-Difluoro-4-alkoxyphenyl)-5-(2,3-difluoro-4-alkylphenyl)-1,3-dioxanes (m,On-DFPDFPD). Their mesmorphic properties were observed and measured by polarizing optical microscopy and differential scanning calorimetry. The dielectric anisotropy (Δε) and birefringences (Δn) of some target compounds were determined. Most of these compounds exhibit a wide temperature range smectic A phase and/or a wide temperature range nematic phase with negative dielectric anisotropy (Δε) and low birefringences (Δn).

  我们合成了三个系列的液晶材料：2-(2,3-二氟-4-烷氧基苯基)-5-(4-烷基苯基)-1,3-二氧杂环（m,On-DFPD）、2-(2,3-二氟-4-烷氧基苯基)-5-(2-氟-4-烷基苯基)-1、3-二氧杂环戊烷（m,On-DFPFPD）和 2-(2,3-二氟-4-烷氧基苯基)-5-(2,3-二氟-4-烷基苯基)-1,3-二氧杂环戊烷（m,On-DFPDFPD）。通过偏振光学显微镜和差示扫描量热法观察和测量了它们的中间形态特性。还测定了一些目标化合物的介电各向异性（Δε）和双折射（Δn）。这些化合物中的大多数都表现出具有负介电各向异性（Δε）和低双折射（Δn）的宽温度范围共晶 A 相和/或宽温度范围向列相。
• 一种2,3-二氟-4-烷氧基苯酚的合成工艺
  申请人：蚌埠中实化学技术有限公司

  公开号：CN110922306B

  公开（公告）日：2023-09-29

  本发明公开了一种2,3‑二氟‑4‑烷氧基苯酚的合成工艺，属于有机合成技术领域。以2,3‑二氟苯烷基醚为原料，在超低温条件下正丁基锂进行锂化，再与硼酸酯反应，加入碱淬灭后得到2,3‑二氟‑4‑烷氧基苯硼酸盐，接着在双氧水存在下氧化后，酸解得到2,3‑二氟‑4‑烷氧基苯酚，纯化后产品纯度可达99.95％以上，杂质低于50ppm，满足电子级产品的需要。本发明利用硼酸可以与碱形成盐，溶解于水中，在与双氧水氧化时均相反应进行氧化反应，反应条件温和，杂质少，产品纯度高，溶剂可回收套用，容易实现工业化生产。
• FIVE-RING COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE
  申请人：KOBAYASHI Masahide

  公开号：US20110240919A1

  公开（公告）日：2011-10-06

  The subject is to provide a liquid crystal that has a high stability to heat, light and so forth, a wide temperature range of a nematic phase, a small viscosity, a large optical anisotropy and a suitable elastic constant K 33 , and further has a large negative dielectric anisotropy and an excellent compatibility with any other liquid crystal compound. The invention provides the compound (1): wherein, for example, R 1 and R 2 are hydrogen, alkyl having 1 to 10 carbons, alkenyl having 2 to 10 carbons, alkoxy having 1 to 9 carbons, alkoxyalkyl having 2 to 9 carbons or alkenyloxy having 2 to 9 carbons; when one of the ring A 1 , the ring A 2 and the ring A 3 is 1,4-phenylene or 2,3-difluoro-1,4-phenylene, the other two are 1,4-cyclohexylene or 1,4-cyclohexenylene; and Z 1 is a single bond, —(CH 2 ) 2 —, —CH 2 O—, —OCH 2 —, —COO— or —OCO—.

  该专利的目的是提供一种液晶，具有高热稳定性、光稳定性、宽的向列相温度范围、低粘度、大光学畸变和适当的弹性常数K33，而且具有大的负介电畸变和与任何其他液晶化合物的优异相容性。该发明提供了化合物（1）：其中，例如，R1和R2是氢、具有1至10个碳的烷基、具有2至10个碳的烯基、具有1至9个碳的烷氧基、具有2至9个碳的烷氧基烷基或具有2至9个碳的烯氧基；当环A1、环A2和环A3中的一个是1,4-苯撑基或2,3-二氟-1,4-苯撑基时，另外两个是1,4-环己撑基或1,4-环己烯撑基；而且Z1是单键、—(CH2)2—、—CH2O—、—OCH2—、—COO—或—OCO—。
• 一种介电负性液晶化合物及其制备方法与应 用
  申请人：江苏和成新材料有限公司

  公开号：CN105218328B

  公开（公告）日：2017-11-24

  本发明提供了式A所示的含有环戊基及2,3‑二氟‑1,4‑亚苯基的介电负性液晶化合物及其制备方法与应用。式A的化合物的制备采用2,3‑二氟苯丁醚为初始原料，经过亲核加成、羟基脱水、加氢等反应最终得到。所述制备方法具有操作简单、成本低、收率高、工艺安全稳定等特点，适合工业化生产。式A的化合物结构稳定，具有宽的液晶态温度范围、较大的双折射率以及负的介电各向异性值，在光学器件中使用时可实现较低的阈值电压，可以改善液晶组合物材料和显示器性能，适用于VA、IPS和ECB等液晶显示模式中。