3-苯氧基噻吩-2-甲醛 | 132706-25-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 3-苯氧基噻吩-2-甲醛
• 中文别名: 3-苯氧基噻吩-2-羧酸
• 英文名称: 3-phenoxythiophene-2-carboxaldehyde
• 英文别名: 3-Phenoxy-thiophene-2-carbaldehyde；3-phenoxythiophen-2-carboxaldehyde；3-Phenoxythiophene-2-carbaldehyde
• CAS: 132706-25-3
• 化学式: C₁₁H₈O₂S
• mdl: MFCD00178748
• 分子量: 204.249
• InChiKey: QHJDRZXMSDASSH-UHFFFAOYSA-N

物化性质

• 沸点：
  184 °C

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  54.5
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 海关编码：
  2934999090

SDS

Name:	3-Phenoxythiophene-2-carbaldehyde, 97% Material Safety Data Sheet
Synonym:	3-Phenoxythiophene-2-carboxaldehyde
CAS:	132706-25-3

Section 1 - Chemical Product MSDS Name: 3-Phenoxythiophene-2-carbaldehyde, 97% Material Safety Data Sheet
Synonym: 3-Phenoxythiophene-2-carboxaldehyde

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SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
132706-25-3	3-Phenoxythiophene-2-carbaldehyde	97%	unlisted

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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SECTION 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Not available. Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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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:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately.
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.

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SECTION 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
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:
Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 132706-25-3: Personal Protective Equipment
Eyes:
Not available.
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: pale orange
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
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:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C11H8O2S
Molecular Weight: 204

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SECTION 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, reducing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported

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SECTION 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 132706-25-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-Phenoxythiophene-2-carbaldehyde - 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 No information available. IMO No information available. RID/ADR No information available.

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SECTION 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 132706-25-3: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 132706-25-3 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 132706-25-3 is not listed on the TSCA inventory. It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
MSDS Creation Date: 3/20/2003 Revision #0 Date: Original. The information above is believed to be accurate and represents the best information currently available to us. However, we make no warranty of merchantability or any other warranty, express or implied, with respect to such information, and we assume no liability resulting from its use. Users should make their own investigations to determine the suitability of the information for their particular purposes. In no way shall the company be liable for any claims, losses, or damages of any third party or for lost profits or any special, indirect, incidental, consequential or exemplary damages, howsoever arising, even if the company has been advised of the possibility of such damages.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  苯磺酰乙腈 、 3-苯氧基噻吩-2-甲醛 以gave (E)-3-(3-phenoxythien-2-yl)-2-(phenylsulfonyl)acrylonitrile的产率得到(E)-3-(3-phenoxythien-2-yl)-2-(phenylsulfonyl)acrylonitrile
  参考文献：
  名称：

  Thienyl compounds for inhibition of cell proliferative disorders

  摘要：

  本发明涉及分子，能够调节酪氨酸信号传导，以通过抑制一个或多个异常酪氨酸激酶活性，预防和治疗与特定酪氨酸激酶相关的细胞增殖障碍或细胞分化障碍。

  公开号：

  US05710173A1
• 作为产物：
  描述：

  3-苯氧基噻吩 在 正丁基锂 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 以1.74 g (75%)的产率得到3-苯氧基噻吩-2-甲醛
  参考文献：
  名称：

  Urea based lipoxygenase inhibiting compounds

  摘要：

  苯基、萘基和噻吩基N-羟基脲化合物形成了一类强效的5-和12-脂氧化酶抑制剂，因此在治疗炎症性疾病状态中，其中白三烯和其他脂氧化酶酶活性产物起作用，这些化合物是有用的。

  公开号：

  US05185363A1

文献信息

• A New Biarylphosphine Ligand for the Pd-Catalyzed Synthesis of Diaryl Ethers under Mild Conditions
  作者：Luca Salvi、Nicole R. Davis、Siraj Z. Ali、Stephen L. Buchwald

  DOI：10.1021/ol202955h

  日期：2012.1.6

  A new bulky biarylphosphine ligand (L8) has been developed that allows the Pd-catalyzed C–O cross-coupling of a wide range of aryl halides and phenols under milder conditions than previously possible. A direct correlation between the size of the ligand substituents in the 2′, 4′, and 6′ positions of the nonphosphine containing ring and the reactivity of the derived catalyst system was observed. Specifically

  已经开发出一种新的庞大的联芳基膦配体 ( L8 )，它允许在比以前更温和的条件下，Pd 催化的 C-O 交叉偶联广泛的芳基卤化物和苯酚。观察到含非膦环的 2'、4' 和 6' 位置的配体取代基的大小与衍生催化剂体系的反应性之间存在直接相关性。具体而言，偶联速率随着这些取代基的大小而增加。
• Application of oxime-diversification to optimize ligand interactions within a cryptic pocket of the polo-like kinase 1 polo-box domain
  作者：Xue Zhi Zhao、David Hymel、Terrence R. Burke

  DOI：10.1016/j.bmcl.2016.08.098

  日期：2016.10

  potent previously known polo-like kinase 1 (Plk1) polo-box domain (PBD) binding inhibitors. This improved binding may result by accessing a newly identified auxiliary region proximal to a key hydrophobic cryptic pocket on the surface of the protein. Our findings could have general applicability to the design of PBD-binding antagonists.

  通过涉及使用基于肟连接的策略初步筛选一组87个醛的过程，我们能够实现比最有效的先前已知的polo-like激酶1（Plk1）polo-box的亲和力提高数倍。域（PBD）结合抑制剂。这种改善的结合可以通过接近蛋白质表面上关键疏水隐窝的新近识别出的辅助区域来实现。我们的发现可能普遍适用于PBD结合拮抗剂的设计。
• Tetrahydroquinoline derivatives as antithrombotic agents
  申请人：——

  公开号：US20030225110A1

  公开（公告）日：2003-12-04

  This invention relates generally to tetracyclic tetrahydroquinoline compounds, and analogues thereof, and pharmaceutically acceptable salt forms thereof, which are selective inhibitors of serine protease enzymes, especially factor VIIa; pharmaceutical compositions containing the same; and methods of using the same as anticoagulant agents for modulation of the coagulation cascade.

  这项发明通常涉及四环四氢喹啉化合物及其类似物，以及其药用盐形式，这些化合物是选择性抑制丝氨酸蛋白酶酶，特别是VIIa因子的；含有同样化合物的药物组合物；以及将其用作抗凝剂调节凝血级联的方法。
• Bicyclic inhibitors of protein farnesyl transferase
  申请人：——

  公开号：US20020006936A1

  公开（公告）日：2002-01-17

  The present invention provides compounds of Formula I 1 The present invention also provides a method of treating cancer and treating or preventing restenosis or atherosclerosis. Also provided by the present invention is a pharmaceutically acceptable composition containing a compound of Formula I.

  本发明提供了I式化合物。本发明还提供了一种治疗癌症、治疗或预防再狭窄或动脉粥样硬化的方法。本发明还提供了一种含有I式化合物的药学上可接受的组合物。
• Substituted anilinic piperidines as MCH selective antagonists
  申请人：Marzabadi R. Mohammad

  公开号：US20070043080A1

  公开（公告）日：2007-02-22

  This invention is directed to compounds which are selective antagonists for melanin concentrating hormone-1 (MCH1) receptors. The invention provides a pharmaceutical composition comprising a therapeutically effective amount of the compound of the invention and a pharmaceutically acceptable carrier. This invention provides a pharmaceutical composition made by combining a therapeutically effective amount of the compound of this invention and a pharmaceutically acceptable carrier. This invention further provides a process for making a pharmaceutical composition comprising combining a therapeutically effective amount of the compound of the invention and a pharmaceutically acceptable carrier.

  本发明涉及选择性拮抗黑色素浓集激素-1（MCH1）受体的化合物。本发明提供了一种药物组合物，包括本发明化合物的治疗有效量和药学上可接受的载体。本发明提供了一种由本发明化合物的治疗有效量和药学上可接受的载体组成的药物组合物。本发明还提供了一种制备药物组合物的方法，包括将本发明化合物的治疗有效量和药学上可接受的载体组合。