1,2-双(3-甲基噻吩)乙烷-1,2-二酮 | 147951-24-4

• 物质功能分类: 医药中间体 - 噻吩类化合物
• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1,2-双(3-甲基噻吩)乙烷-1,2-二酮
• 英文名称: 3,3'-dimethylthienil
• 英文别名: 1,2-Bis(3-methylthiophen-2-yl)ethane-1,2-dione
• CAS: 147951-24-4
• 化学式: C₁₂H₁₀O₂S₂
• 分子量: 250.342
• InChiKey: GCAXOUZIAQDEHD-UHFFFAOYSA-N

物化性质

• 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)：
  3.7
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  90.6
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 安全说明：
  S24/25

SDS

Name:	1 2-Bis(3-methylthiophen-2-yl)ethane-1 2-dione Material Safety Data Sheet
Synonym:	3,3'-Dimethylthienil
CAS:	147951-24-4

Section 1 - Chemical Product MSDS Name:1 2-Bis(3-methylthiophen-2-yl)ethane-1 2-dione Material Safety Data Sheet
Synonym:3,3'-Dimethylthienil

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
147951-24-4	1,2-Bis(3-methylthiophen-2-yl)ethane-1	97	unlisted

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

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
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. The toxicological properties of this substance have not been fully investigated. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. May be harmful if inhaled.
Chronic:
No information found.

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Section 4 - FIRST AID MEASURES
Eyes: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid.
Skin:
In case of contact, flush skin with plenty of water. Remove contaminated clothing and shoes. Get medical aid if irritation develops and persists. Wash clothing before reuse.
Ingestion:
If swallowed, do not induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an unconscious person. Get medical aid.
Inhalation:
If inhaled, remove to fresh air. 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
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:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing.
Keep container tightly closed. Avoid ingestion and inhalation.
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# 147951-24-4: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
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: Crystalline powder
Color: yellow
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: C12H10O2S2
Molecular Weight: 250.34

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Dust generation.
Incompatibilities with Other Materials:
Strong oxidizing 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# 147951-24-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1,2-Bis(3-methylthiophen-2-yl)ethane-1,2-dione - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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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# 147951-24-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 147951-24-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 147951-24-4 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：

  1,2-双(3-甲基噻吩)乙烷-1,2-二酮 在 ammonium acetate 、 溶剂黄146 作用下， 以 苯 为溶剂， 反应 5.0h， 生成 4,5-bis(5-bromo-3-methylthiophen-2-yl)-2-phenyl-1H-imidazole
  参考文献：
  名称：

  Imidazole-based dithienylethenes as a selective chemosensors for iron(III) ions

  摘要：

  Four novel imidazole-based dithienylethenes have been successfully synthesized in good yields. Their structures have been confirmed by NMR spectrometry, mass spectrometry, and elemental analyses. UV/Vis absorption spectra indicated that these dithienylethenes can easily isomerize between the open-ring and closed-ring isomers upon irradiation with UV or visible light in solution, and that the respective closed-ring isomers show decreased fluorescence properties compared with the open-ring isomers. Moreover, the open-ring and closed-ring isomers display high selectivity toward Fe3+, such that the addition of Fe3+ obviously suppresses their fluorescence intensity. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2011.08.005
• 作为产物：
  描述：

  3-甲基噻吩 、 草酰氯 在 aluminum (III) chloride 作用下， 以 二硫化碳 为溶剂， 以53%的产率得到1,2-双(3-甲基噻吩)乙烷-1,2-二酮
  参考文献：
  名称：

  Imidazole-based dithienylethenes as a selective chemosensors for iron(III) ions

  摘要：

  Four novel imidazole-based dithienylethenes have been successfully synthesized in good yields. Their structures have been confirmed by NMR spectrometry, mass spectrometry, and elemental analyses. UV/Vis absorption spectra indicated that these dithienylethenes can easily isomerize between the open-ring and closed-ring isomers upon irradiation with UV or visible light in solution, and that the respective closed-ring isomers show decreased fluorescence properties compared with the open-ring isomers. Moreover, the open-ring and closed-ring isomers display high selectivity toward Fe3+, such that the addition of Fe3+ obviously suppresses their fluorescence intensity. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2011.08.005

文献信息

• Pteridine derivatives useful for making pharmaceutical compositions
  申请人：Waer Jozef Albert Mark

  公开号：US20070032477A1

  公开（公告）日：2007-02-08

  This invention relates to a group of substituted pteridine derivatives, their pharmaceutically acceptable salts, N-oxides, solvates, dihydro- and tetrahydro-derivatives, and enantiomers, possessing unexpectedly desirable pharmaceutical properties, in particular which are highly active immunosuppressive agents, and as such are useful in the treatment in transplant rejection and/or in the treatment of certain inflammatory diseases. These derivatives are also useful in preventing or treating cardiovascular disorders, allergic conditions, disorders of the central nervous system, TNF-α related disorders, viral diseases, inflammatory bowel diseases and cell proliferative disorders.

  本发明涉及一类取代的喹噁啉衍生物，其药学上可接受的盐、N-氧化物、溶剂合物、二氢和四氢衍生物以及对映体，具有出乎意料的理想药理特性，尤其是高活性的免疫抑制剂，因此在移植排斥和/或某些炎症性疾病的治疗中非常有用。这些衍生物还可用于预防或治疗心血管疾病、过敏性疾病、中枢神经系统疾病、TNF-α相关疾病、病毒性疾病、炎症性肠病和细胞增殖性疾病。
• Lee, Chang Kiu; Gong, Jin Soon; Lee, In-Sook Han, Journal of Heterocyclic Chemistry, 1995, vol. 32, # 1, p. 239 - 242
  作者：Lee, Chang Kiu、Gong, Jin Soon、Lee, In-Sook Han

  DOI：——

  日期：——