3,4-二氟苯乙烯 | 405-03-8

• 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: 3,4-二氟苯乙烯
• 英文名称: 3,4-difluorostyrene
• 英文别名: 1,2-difluoro-4-vinylbenzene；4-ethenyl-1,2-difluorobenzene
• CAS: 405-03-8
• 化学式: C₈H₆F₂
• 分子量: 140.132
• InChiKey: VPKZWIGZODEBDP-UHFFFAOYSA-N

物化性质

• 沸点：
  147℃
• 密度：
  1.131
• 闪点：
  32℃

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2903999090
• 包装等级：
  III
• 危险类别：
  3
• 危险性防范说明：
  P210,P403+P235
• 危险品运输编号：
  1993
• 危险性描述：
  H225
• 储存条件：
  -20°C，干燥密封

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3,4-Difluorostyrene
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: 3,4-Difluorostyrene
CAS number: 405-03-8

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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, refrigerated.
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: C8H6F2
Molecular weight: 140.1

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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, 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：

  3,4-二氟苯乙烯 在 tris(bipyridine)ruthenium(II) dichloride hexahydrate 、 palladium diacetate 、 溶剂黄146 、 三乙胺 、 sodium nitrite 作用下， 以 水 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 26.0h， 生成 2-(3,4-二氟苯基)吲哚
  参考文献：
  名称：

  通过可见光诱导的苯乙烯叠氮化物的光催化环化反应合成2位取代的吲哚

  摘要：

  在室温下，在钌络合物Ru（bpy）3 Cl 2（0.5 mol％）作为光催化剂存在的情况下，已经开发了可见光诱导的苯乙烯叠氮化物的光催化分子内环化反应。当前的光催化策略具有操作简便以及对官能团的耐受性高的特点，并提供了以良好或优异的收率轻松获得各种2个取代的N无氮吲哚的方法。重要的是，本方法可以采用阳光作为光源以提供相应的产物而不会损失反应效率。

  DOI：

  10.1002/adsc.201400527
• 作为产物：
  描述：

  1,2-二氟苯 在 甲醇 、 aluminum (III) chloride 、 sodium tetrahydroborate 、 硫酸 作用下， 以 甲苯 为溶剂， 反应 25.2h， 生成 3,4-二氟苯乙烯
  参考文献：
  名称：

  一种制备(1R ,2S)-2-(3,4-二氟苯基)环丙胺 的方法

  摘要：

  本发明涉及一种制备式I(1R,2S)‑2‑(3,4‑二氟苯基)环丙胺的方法；所述的方法以1‑(3,4‑二氟苯基)乙烯为原料，依次经过新化合物式IV、式V得到式I混旋体，后经对映纯的有机手性酸拆分，分离的得到式I盐，游离得到纯的式I化合物，式I为制备抗凝血药替卡格雷关键中间体；该方法工艺安全、环境友好、成本低廉，适合大规模生产。

  公开号：

  CN103965059B

文献信息

• 6-Membered heterocyclic compound and use thereof
  申请人：Shoda Motoshi

  公开号：US20070060590A1

  公开（公告）日：2007-03-15

  A compound represented by the general formula (I) or a salt thereof: [T represents oxygen atom and the like; V represents CH 2 and the like; R O1 to R O4 represent hydrogen atom and the like; A represents a linear alkylene group or linear alkenylene group having 2 to 8 carbon atoms and the like; D represents carboxyl group and the like; X represents ethylene group, trimethylene group and the like; E represents —CH(OH)— group and the like; and W represent —U 1 —(R W1 )(R W2 )—U 2 —U 3 group (U 1 represents a single bond, an alkylene group having 1 to 4 carbon atoms and the like; R W1 and R W2 represent hydrogen atom and the like; U 2 represents a single bond, an alkylene group having 1 to 4 carbon atoms and the like; and U 3 represent an alkyl group having 1 to 8 carbon atoms and the like), or a residue of a carbon ring or heterocyclic compound], which can be utilized as an active ingredient of medicaments effective for prophylactic and/or therapeutic treatment of skeletal diseases such as osteoporosis and fracture, glaucoma, ulcerative colitis and the like.

  由通用公式(I)表示的化合物或其盐： [T代表氧原子等；V代表CH2等；RO1至RO4代表氢原子等；A代表具有2至8个碳原子的线型亚烷基或线型亚烯基等；D代表羧基等；X代表亚乙基、亚丙基等；E代表—CH(OH)—基团等；W代表—U1—(RW1)(RW2)—U2—U3基团（U1代表单键、具有1至4个碳原子的亚烷基等；RW1和RW2代表氢原子等；U2代表单键、具有1至4个碳原子的亚烷基等；U3代表具有1至8个碳原子的烷基等），或碳环或杂环化合物的残基]，其可作为预防性和/或治疗性药物的有效成分，用于治疗骨骼疾病如骨质疏松症和骨折、青光眼、溃疡性结肠炎等。
• Metalloradical activation of carbonyl azides for enantioselective radical aziridination
  作者：Xavier Riart-Ferrer、Peng Sang、Jingran Tao、Hao Xu、Li-Mei Jin、Hongjian Lu、Xin Cui、Lukasz Wojtas、X. Peter Zhang

  DOI：10.1016/j.chempr.2021.03.001

  日期：2021.4

  The carbonyl azide TrocN3 (2,2,2-trichloroethoxycarbonyl azide) is a potent nitrogen radical precursor for radical olefin aziridination via Co(II)-based metalloradical catalysis (MRC). The cobalt(II) complex of D2-symmetric chiral amidoporphyrin 3,5-DitBu-QingPhyrin proves to be an efficient catalyst that can activate TrocN3 at room temperature to aziridinate various styrene derivatives, providing

  羰基叠氮化物 TrocN 3 (2,2,2-三氯乙氧基羰基叠氮化物) 是一种有效的氮自由基前体，可通过基于 Co(II) 的金属自由基催化 (MRC) 进行自由基烯烃氮丙啶化。D 2 -对称手性氨基卟啉 3,5-Di t Bu-QingPhyrin的钴 (II)配合物被证明是一种有效的催化剂，可以在室温下激活 TrocN 3以氮丙啶化各种苯乙烯衍生物，提供手性N-羰基氮丙啶的高产率和优异的对映选择性。新的基于 Co(II) 的催化体系甚至可以实现缺电子烯烃的不对称氮丙啶化，例如丙烯酸甲酯和丙烯酸乙酯。除了容易去除Troc基团以生成未保护的氮丙啶外，所得的N -Troc-氮丙啶还可以被不同类型的亲核试剂有效打开，得到一系列具有优异立体定向性的手性胺衍生物。几条计算和实验证据支持 Co(II) 催化烯烃氮丙啶化的潜在逐步自由基机制。这是第一个使用羰基叠氮化物作为氮源的不对称分子间烯烃叠氮的例子。
• Copper-Catalyzed Heck-Type Couplings of Sulfonyl Chlorides with Olefins: Efficient and Rapid Access to Vinyl Sulfones
  作者：Lixia Liu、Pan Xue、Qiulin Chen、Chengming Wang

  DOI：10.1016/j.tetlet.2021.153319

  日期：2021.9

  A copper-catalyzed redox-neutral alkene sulfonylation reaction has been developed. This reported protocol can be easily scale up to a gram scale, and smoothly applied to the late-stage modification of several bioactive molecules.

  已开发出铜催化的氧化还原-中性烯烃磺酰化反应。该报告的协议可以轻松扩展到克级，并顺利应用于几种生物活性分子的后期修饰。
• [EN] HYDROXY ISOXAZOLE COMPOUNDS USEFUL AS GPR120 AGONISTS<br/>[FR] COMPOSÉS D'HYDROXY ISOXAZOLE UTILES EN TANT QU'AGONISTES DE GPR120
  申请人：MERCK SHARP & DOHME

  公开号：WO2018107415A1

  公开（公告）日：2018-06-21

  The present invention relates to a compound represented by formula (I) : and pharmaceutically acceptable salts thereof are disclosed as useful for treating or preventing diabetes, hyperlipidemia, obesity, NASH, inflammation related disorders, and related diseases and conditions. The compounds are useful as agonists of the G-protein coupled receptor GPR120. Pharmaceutical compositions and methods of treatment are also included.

  本发明涉及一种由公式（I）表示的化合物：以及所述化合物的药学可接受的盐，作为用于治疗或预防糖尿病、高脂血症、肥胖、非酒精性脂肪肝炎（NASH）、炎症相关疾病及相关疾病和状况的有用物质。这些化合物作为G蛋白偶联受体GPR120的激动剂是有用的。还包括药物组合物和治疗方法。
• NOVEL PROCESSES FOR THE PREPARATION OF PHENYLCYCLOPROPYLAMINE DERIVATIVES AND USE THEREOF FOR PREPARING TICAGRELOR
  申请人：Khile Anil Shahaji

  公开号：US20130165696A1

  公开（公告）日：2013-06-27

  Provided herein are novel processes for the preparation of phenylcyclopropylamine derivatives, which are useful intermediates in the preparation of triazolo[4,5-d]pyrimidine compounds. Provided particularly herein are novel, commercially viable and industrially advantageous processes for the preparation of a substantially pure ticagrelor intermediate, trans-(1R,2S)-2-(3,4-difluorophenyl)-cyclopropylamine. Provided further herein are novel acid addition salts of trans-(1R,2S)-2-(3,4-difluorophenyl)-cyclopropylamine, and process for their preparation. The intermediate and its acid addition salts are useful for preparing ticagrelor, or a pharmaceutically acceptable salt thereof, in high yield and purity.

  本文提供了一种制备苯基环丙胺衍生物的新型工艺，这些衍生物在三唑并[4,5-d]嘧啶化合物的制备中是有用的中间体。特别提供了一种新颖、商业可行且在工业上具有优势的工艺，用于制备一种基本纯的替卡格雷中间体，即trans-(1R,2S)-2-(3,4-二氟苯基)-环丙胺。此外，本文还提供了trans-(1R,2S)-2-(3,4-二氟苯基)-环丙胺的新型酸加盐，以及其制备工艺。该中间体及其酸加盐对于高产率和纯度制备替卡格雷或其药用可接受盐是有用的。