1-(3-溴丙氧基)-2-氟苯 | 145943-76-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 1-(3-溴丙氧基)-2-氟苯
• 英文名称: 1-(3-bromopropoxy)-2-fluorobenzene
• 英文别名: 1-(3-bromopropoxy’)-2-fluorobenzene；3-bromopropyl 2-fluorophenyl ether
• CAS: 145943-76-6
• 化学式: C₉H₁₀BrFO
• 分子量: 233.08
• InChiKey: GDBROVZRIQZCTA-UHFFFAOYSA-N

物化性质

• 沸点：
  150 °C (12 mmHg)
• 稳定性/保质期：
  遵照规定使用和储存，则不会发生分解。

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xn,Xi
• 安全说明：
  S37/39
• 危险类别码：
  R36/37/38

SDS

Name:	1-(3-Bromopropoxy)-2-fluorobenzene Material Safety Data Sheet
Synonym:
CAS:	145943-76-6

Section 1 - Chemical Product MSDS Name:1-(3-Bromopropoxy)-2-fluorobenzene Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
145943-76-6	1-(3-Bromopropoxy)-2-fluorobenzene	100	unlisted

Hazard Symbols: XN
Risk Phrases: 20/22 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation and if swallowed. Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation. Lachrymator (substance which increases the flow of tears).
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. Causes respiratory tract irritation.
Chronic:
No information found.

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Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do not induce vomiting. Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Avoid runoff into storm sewers and ditches which lead to waterways.

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Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 145943-76-6: Personal Protective Equipment Eyes: Wear chemical splash goggles.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Liquid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 150 deg C @12mmHg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: >200 deg C
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C9H10BrFO
Molecular Weight: 233.08

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
No information found.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, carbon monoxide, carbon dioxide, hydrogen bromide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 145943-76-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-(3-Bromopropoxy)-2-fluorobenzene - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2810
Packing Group: III
IMO
Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2810
Packing Group: III
RID/ADR
Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2810
Packing group: III

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/22 Harmful by inhalation and if swallowed.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 145943-76-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 145943-76-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 145943-76-6 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  1-(3-溴丙氧基)-2-氟苯 在 sodium hydride 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.08h， 生成 9-(3-(2-fluorophenoxy)propyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole 2,2,2-trifluoroacetate
  参考文献：
  名称：

  发现卡波林衍生物作为有效的抗真菌药，可治疗隐球菌性脑膜炎。

  摘要：

  由于缺乏有效和安全的药物疗法，隐球菌性脑膜炎（CM）的临床治疗仍然是一项重大挑战。开发具有新型化学支架和新作用方式的新型CM治疗剂非常重要。在此，新的β-六烃基衍生物显示出具有有效的抗隐球菌活性。特别地，化合物A4显示出有效的体外和体内抗隐球菌活性，具有良好的代谢稳定性和血脑屏障通透性。化合物A4具有口服活性，可在CM鼠模型中显着减轻脑部真菌的负担。此外，化合物A4可以抑制新型隐球菌的几种毒力因子，并可能以新的作用方式起作用。初步的机理研究表明，化合物A4通过作用于Cdc25c / CDK1 / cyclin B途径，诱导了DNA双链断裂和细胞周期阻滞在G2期。综上所述，β-六烃基A4代表了开发下一代CM治疗剂的有前途的先导化合物。

  DOI：

  10.1021/acs.jmedchem.8b01598
• 作为产物：
  描述：

  2-氟苯酚 、 1,3-二溴丙烷 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 12.0h， 生成 1-(3-溴丙氧基)-2-氟苯
  参考文献：
  名称：

  FFA1，PPARγ和PPARδ新型泛激动剂的设计，合成和生物学评估

  摘要：

  游离脂肪酸受体1（FFA1）和过氧化物酶体增殖物激活受体（PPARs）作为治疗代谢综合征（如2型糖尿病）的有效靶标引起了人们的兴趣。基于该假设，即PPARs的和FFA1的双重激动剂将作为胰岛素敏化剂和分泌由PPARs的和FFA1的同时激活，我们开发了设计策略通过混合FFA1以获得双PPARs的/ FFA1激动剂激动剂1与PPARδ激动剂2在考虑它们的结构相似性。不出所料，系统探索结构-活性关系和分子模型可导致发现铅化合物15，一种泛激动剂，在FFA1，PPARγ和PPARδ之间具有相对平衡的活性。剂量反应关系研究表明，泛激动剂15以剂量依赖的方式抑制了血糖水平的波动。在ob / ob小鼠接受5天治疗期间，泛激动剂15（100 mg / kg）表现出持续的降血糖作用，甚至接近最先进的FFA1激动剂（TAK-875，40 mg / kg），这可能是由于它的泛PPARs / FFA1活性可同时调

  DOI：

  10.1016/j.ejmech.2018.09.071

文献信息

• Muscarinic acetylcholine receptor antagonists
  申请人：Laine I. Damane

  公开号：US20070185155A1

  公开（公告）日：2007-08-09

  Muscarinic Acetylcholine Receptor Antagonists and methods of using them are provided.

  提供了肌肽乙酰胆碱受体拮抗剂及其使用方法。
• [EN] NOVEL COMPOUND, PREPARATION METHOD THEREOF, AND USE THEREOF<br/>[FR] NOUVEAU COMPOSÉ, SON PROCÉDÉ DE PRÉPARATION ET SON UTILISATION
  申请人：DAEGU GYEONGBUK MEDICAL INNOVATION FOUND

  公开号：WO2021145729A1

  公开（公告）日：2021-07-22

  The present invention relates to a method for preparing a biomaterial having selectively functionalized tyrosine, a biomaterial having selectively functionalized tyrosine, and a pharmaceutical composition containing the same as an active ingredient. The method for preparing a biomaterial to which a compound represented by formula 2 is coupled, of the present invention, allows the compound represented by formula 2 to be selectively coupled, in a high yield in a biomaterial, to tyrosine, which is present on the surface of an aqueous solution such that the coupling thereof to amino acids other than tyrosine does not occur and, when only one tyrosine is present, heterogeneous mixtures are not present and the inherent activity of the biomaterial is maintained, and thus the compound can be effectively used as a pharmaceutical composition containing a biomaterial drug as an active ingredient. In addition, the method can selectively functionalize tyrosine, and thus can be effectively used for tyrosine functionalization in a biomaterial.

  本发明涉及一种制备具有选择性功能化酪氨酸的生物材料的方法，具有选择性功能化酪氨酸的生物材料，以及含有该生物材料作为活性成分的药物组合物。本发明的一种制备生物材料的方法，其中将由式2表示的化合物偶联到生物材料，使得该化合物能够选择性地偶联到酪氨酸，且在生物材料中的产率较高，酪氨酸位于水溶液表面，使得其与酪氨酸以外的氨基酸不发生偶联，当只有一个酪氨酸存在时，不会出现异质混合物，同时保持生物材料的固有活性，因此该化合物可以有效地用作含有生物材料药物的药物组合物的活性成分。此外，该方法可以选择性功能化酪氨酸，因此可以有效地用于生物材料中的酪氨酸功能化。
• [EN] ORGANIC COMPOUNDS<br/>[FR] COMPOSES ORGANIQUES
  申请人：SPEEDEL EXPERIMENTA AG

  公开号：WO2005061457A1

  公开（公告）日：2005-07-07

  Novel substituted piperidines of the general formulae (I) and (II) with the substituent definitions as explained in detail in the description are described. The compounds are suitable in particular as renin inhibitors and are highly potent.

  描述了一种具有一般式(I)和(II)的新型替代哌啶化合物，其中详细说明了取代基定义。这些化合物特别适用作为肾素抑制剂，并且具有很高的效力。
• Design, synthesis, and biological evaluation of novel pan agonists of FFA1, PPARγ and PPARδ
  作者：Zheng Li、Zongtao Zhou、Fengjian Deng、Yuyi Li、Danjun Zhang、Luyong Zhang

  DOI：10.1016/j.ejmech.2018.09.071

  日期：2018.11

  of metabolic syndrome such as type 2 diabetes. Based on the hypothesis that the dual agonists of PPARs and FFA1 would act as insulin sensitizers and secretagogues by simultaneous activation of PPARs and FFA1, we developed the design strategy to obtain dual PPARs/FFA1 agonist by hybrid FFA1 agonist 1 with PPARδ agonist 2 in consideration of their structural similarity. As expected, systematic exploration

  游离脂肪酸受体1（FFA1）和过氧化物酶体增殖物激活受体（PPARs）作为治疗代谢综合征（如2型糖尿病）的有效靶标引起了人们的兴趣。基于该假设，即PPARs的和FFA1的双重激动剂将作为胰岛素敏化剂和分泌由PPARs的和FFA1的同时激活，我们开发了设计策略通过混合FFA1以获得双PPARs的/ FFA1激动剂激动剂1与PPARδ激动剂2在考虑它们的结构相似性。不出所料，系统探索结构-活性关系和分子模型可导致发现铅化合物15，一种泛激动剂，在FFA1，PPARγ和PPARδ之间具有相对平衡的活性。剂量反应关系研究表明，泛激动剂15以剂量依赖的方式抑制了血糖水平的波动。在ob / ob小鼠接受5天治疗期间，泛激动剂15（100 mg / kg）表现出持续的降血糖作用，甚至接近最先进的FFA1激动剂（TAK-875，40 mg / kg），这可能是由于它的泛PPARs / FFA1活性可同时调
• Nickel-catalyzed three-component olefin reductive dicarbofunctionalization to access alkylborates
  作者：Xiao-Xu Wang、Xi Lu、Shi-Jiang He、Yao Fu

  DOI：10.1039/d0sc02054k

  日期：——

  We report a three-component olefin reductive dicarbofunctionalization for constructing alkylborates, specifically, nickel-catalyzed reductive dialkylation and alkylarylation of vinyl boronates with a variety of alkyl bromides and aryl iodides. This reaction exhibits good coupling efficiency and excellent functional group compatibility, providing convenient access to the late-stage modification of complex

  我们报告了用于构建烷基硼酸酯的三组分烯烃还原性双碳官能化，特别是镍催化的硼酸乙烯酯与各种烷基溴化物和芳基碘化物的还原性二烷基化和烷基芳基化。该反应显示出良好的偶联效率和出色的官能团相容性，可方便地进行复杂天然产物和药物分子的后期修饰。结合烷基硼酸酯转化，该反应还可以在复杂化合物的模块化和聚合合成中找到应用。