2-溴-2’-氟-4’-甲氧基苯乙酮 | 157014-35-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2-溴-2’-氟-4’-甲氧基苯乙酮
• 中文别名: 2-溴-2'-氟-4'-甲氧基苯乙酮
• 英文名称: 2-bromo-1-(2-fluoro-4-methoxyphenyl)ethanone
• 英文别名: 2-bromo-(2-fluoro-4-methoxyphenyl)ethane-1-one；2-bromo-2'-fluoro-4'-methoxyacetophenone；2-Fluoro-4-methoxyphenacyl bromide
• CAS: 157014-35-2
• 化学式: C₉H₈BrFO₂
• 分子量: 247.064
• InChiKey: OKLFPKDKQYVRNJ-UHFFFAOYSA-N

物化性质

• 沸点：
  293.6±25.0 °C(Predicted)
• 密度：
  1.521±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2914700090
• 包装等级：
  II
• 危险类别：
  8
• 危险性防范说明：
  P260,P264,P270,P271,P280,P301+P330+P331,P303+P361+P353,P304+P340,P305+P351+P338,P310,P363,P403+P233,P405,P501
• 危险品运输编号：
  3261
• 危险性描述：
  H302,H335,H314
• 储存条件：
  存储条件：2-8°C，干燥。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Fluoro-4-methoxyphenacyl bromide
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-Fluoro-4-methoxyphenacyl bromide
CAS number: 157014-35-2

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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, 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: C9H8BrFO2
Molecular weight: 247.1

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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, hydrogen bromide.

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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-溴-2’-氟-4’-甲氧基苯乙酮 在 吡啶盐酸盐 、 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 1-Bromo-3,7-dihydroxy-5,11-dioxa-benzo[b]fluoren-10-one
  参考文献：
  名称：

  Constrained phytoestrogens and analogues as ERβ selective ligands

  摘要：

  A new series of ERbeta (ERbeta) selective ligands has been prepared. One of the compounds 6, structurally related to the phytoestrogen apigenin 4, displays a binding preference for ERbeta over ERalpha of over 40-fold. In addition to its binding selectivity, 6 was able to potently induce metallothionein (an ERbeta specific response in human SAOS-2 cells) while demonstrating low potency in an ERalpha dependant ERE-tk luciferase assay in MCF-7 cells. Such receptor and cell selectivity could make 6 a useful molecular probe for better understanding the role of ERbeta in mammalian physiology. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00394-9
• 作为产物：
  描述：

  2-氟-4-甲氧基苯乙酮 生成 2-溴-2’-氟-4’-甲氧基苯乙酮
  参考文献：
  名称：

  Pharmaceutically active bicyclic-heterocyclic amines

  摘要：

  具有药用活性的双环杂环胺类化合物（XXX）##STR1##其中W.sub.1为--N.dbd.或--CH.dbd.; W.sub.3为--N.dbd.或--CH.dbd.; W.sub.5为--N.dbd.或--CR.sub.5--，但W.sub.5为--CR.sub.5--当W.sub.1和W.sub.3均为--N.dbd.，这些化合物在治疗轻度和/或中度至重度头部损伤、蛛网膜下腔出血和随后的缺血性中风、哮喘以及减少肺部粘液形成/分泌和其他疾病和损伤中具有药用价值。

  公开号：

  US05502187A1

文献信息

• [EN] COLONY STIMULATING FACTOR-1 RECEPTOR (CSF-1R) INHIBITORS<br/>[FR] INHIBITEURS DU RÉCEPTEUR DE FACTEUR-1 DE STIMULATION DE COLONIES (CSF-1R)
  申请人：GENZYME CORP

  公开号：WO2017015267A1

  公开（公告）日：2017-01-26

  Compounds of the formulas I and XIII, which are useful as colony stimulating factor-1 receptor inhibitors ("CSF 1R inhibitors").

  I和XIII式化合物，可用作促细胞增殖因子-1受体抑制剂（"CSF 1R抑制剂"）。
• Synthesis and Biological Evaluation of 7,8,9,10-Tetrahydroimidazo[1,2-<i>c</i>]pyrido[3,4-<i>e</i>]pyrimdin-5(6H)-ones as Functionally Selective Ligands of the Benzodiazepine Receptor Site on the GABA_A Receptor
  作者：Pamela A. Albaugh、Lu Marshall、James Gregory、Geoff White、Alan Hutchison、Phil C. Ross、Dorothy W. Gallagher、John F. Tallman、Matt Crago、James V. Cassella

  DOI：10.1021/jm0202019

  日期：2002.11.1

  benzodiazepines are nonselective and suffer from numerous side effects. Upon the identification of receptor subtypes, we set out to discover selective agents with the anticipation that these agents would have superior therapeutic potential. Herein, we describe the synthesis and biological evaluation of substituted 7,8,9,10-tetrahydroimidazo[1,2-c]pyrido[3,4-e]pyrimidin-5(6H)-ones and disclose that these compounds

  苯二氮卓类是GABA（A）受体的变构调节剂。传统上规定的苯二氮杂类是非选择性的，并且具有许多副作用。在鉴定受体亚型后，我们着手发现选择性药物，并期望这些药物具有更高的治疗潜力。在这里，我们描述了取代的7,8,9,10-四氢咪唑并[1,2-c]吡啶并[3,4-e]嘧啶-5（6H）-的合成及生物学评价，并揭示了这些化合物具有一定的功能。对GABA（A）受体亚型的苯二氮卓受体的选择性。alpha（2）/ alpha（3）-选择性部分激动剂42表现出强大的体内活性。
• Hepatitis C Virus Inhibitors
  申请人：Sin Ny

  公开号：US20090274652A1

  公开（公告）日：2009-11-05

  Hepatitis C virus inhibitors having the general formula are disclosed. Compositions comprising the compounds and methods for using the compounds to inhibit HCV are also disclosed.

  揭示了具有一般公式的丙型肝炎病毒抑制剂。还揭示了包含这些化合物的组合物和使用这些化合物来抑制HCV的方法。
• Practical and regioselective halo-trifluoromethylthiolation of sulfur ylides
  作者：Hongmei Qin、Yimin Jia、Na Wang、Zhong-Xing Jiang、Zhigang Yang

  DOI：10.1039/d0cc03171b

  日期：——

  practical and highly regioselective chloro- and bromo-trifluoromethylthiolation of sulfur ylides is reported using a difunctionalization strategy. In the reaction sequence, sulfur ylides presumably react with an electrophilic trifluoromethylthiolating reagent to generate an α-SCF3 substituted sulfonium salt intermediate, which then undergoes a substitution with nucleophilic halogens.

  据报道，使用双官能度策略，AH 2 O介导的实际和高度区域选择性的硫酰化氯和溴-三氟甲基硫醇化反应。在该反应流程，硫叶立德大概与亲电试剂trifluoromethylthiolating反应生成的α-SCF 3取代的锍盐中间体，然后经历与亲核卤素的取代。
• BENZOIC ACID DERIVATIVES
  申请人：Gillespie Paul

  公开号：US20130079346A1

  公开（公告）日：2013-03-28

  There are disclosed are compounds of the formula: wherein R1 and R2 are as disclosed herein, which are eIF4E inhibitors useful in the treatment of cancers. Also disclosed are compositions comprising the compounds, as well as methods of treating cancer using the compounds.

  已披露的化合物的公式如下：其中R1和R2如本文所述，它们是eIF4E抑制剂，可用于治疗癌症。还披露了包含这些化合物的组合物，以及使用这些化合物治疗癌症的方法。