2,2-联噻吩-5-羧酸 | 2060-55-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 双噻吩和低聚噻吩
• 中文名称: 2,2-联噻吩-5-羧酸
• 中文别名: 2,2-联二噻吩-5-甲酸
• 英文名称: 5-(thien-2-yl)thiophene-2-carboxylic acid
• 英文别名: 2,2'-bithiophene-5-carboxylic acid；2,2’-bithiophene-5-carboxylic acid；5-thiophen-2-ylthiophene-2-carboxylic acid
• CAS: 2060-55-1
• 化学式: C₉H₆O₂S₂
• mdl: MFCD00159571
• 分子量: 210.277
• InChiKey: PTNWHEHDBNNKEO-UHFFFAOYSA-N

物化性质

• 熔点：
  183-184 °C
• 沸点：
  396.1±32.0 °C(Predicted)
• 密度：
  1.438±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  93.8
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xi
• 危险类别码：
  R36/37/38
• 海关编码：
  2934999090
• 安全说明：
  S26,S37/39
• 危险性防范说明：
  P261,P280,P301+P312,P302+P352,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  存储条件：室温、密闭保存，并置于干燥处。

SDS

Name:	2 2 -Bithiophene-5-carboxylic acid 97% Material Safety Data Sheet
Synonym:
CAS:	2060-55-1

Section 1 - Chemical Product MSDS Name:2 2 -Bithiophene-5-carboxylic acid 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
2060-55-1	2,2'-Bithiophene-5-carboxylic acid	97%	unlisted

Hazard Symbols: XI
Risk Phrases: 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes 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. 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:
Vacuum or sweep up material and place into a suitable disposal 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:
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# 2060-55-1: 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: Solid
Color: pale green
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 175 - 178 deg C
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: C9H6O2S2
Molecular Weight: 210.28

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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.
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# 2060-55-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2,2'-Bithiophene-5-carboxylic acid - 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: XI
Risk Phrases:
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# 2060-55-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 2060-55-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 2060-55-1 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：

  2,2-联噻吩-5-羧酸 在 吡啶 、 N-溴代丁二酰亚胺(NBS) 、 氯化亚砜 作用下， 以 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 73.0h， 生成 5-bromo-2,2'-bithiophene-5'-carboxylic acid [(2S)-2-(2-(2-(2-(2-methoxyethoxy)-ethoxy)ethoxy)ethoxy)propan-1-ol] ester
  参考文献：
  名称：

  质子和水介质中 α,ω-二取代六噻吩的手性聚集体

  摘要：

  DOI：

  10.1021/ja994231l
• 作为产物：
  描述：

  2,2-联噻吩-5-乙醛 在 氧气 作用下， 以 氯仿 为溶剂， 反应 12.0h， 生成 2,2-联噻吩-5-羧酸
  参考文献：
  名称：

  D'Auria, Maurizio; Ferri, Tommaso; Mauriello, Giacomo, Gazzetta Chimica Italiana, 1996, vol. 126, # 5, p. 313 - 315

  摘要：

  DOI：

文献信息

• Glutamate aggrecanase inhibitors
  申请人：Sum Phaik-Eng

  公开号：US20070043066A1

  公开（公告）日：2007-02-22

  The present invention relates to modulators of metalloproteinase activity.

  本发明涉及金属蛋白酶活性调节剂。
• Sialic acid dimers
  申请人：Brossmer Reinhard

  公开号：US09260467B2

  公开（公告）日：2016-02-16

  Sialic acid derivatives of the formula (I) in which the symbols have the definitions stated in the description are suitable as medicaments, more particularly for diseases whose course is influenced by Siglec ligands.

  公式（I）中的唾液酸衍生物 其中符号的定义如描述中所述，适用作为药物，更具体地用于受Siglec配体影响的疾病。
• ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXA INHIBITORS
  申请人：STEINHAGEN Henning

  公开号：US20090233949A1

  公开（公告）日：2009-09-17

  The invention relates to the compounds of formula (I) having antithrombotic activity which especially inhibit blood clotting factor IXa, to methods for producing the same and to the use thereof as drugs.

  本发明涉及具有抗血栓作用的化合物(I)的公式，特别是抑制血凝因子IXa的化合物，以及其制备方法和作为药物的用途。
• Amide compounds
  申请人：Fujisawa Pharmaceutical Co., Ltd.

  公开号：US06770667B1

  公开（公告）日：2004-08-03

  The present invention is a compound and pharmaceutical composition comprising a compound of formula (I): wherein R1 is a 4-(lower) alkyl-imidazol-1-yl or a 4,5-di(lower) alkyl-imidazol-1-yl group, R2 is a hydrogen atom or a lower alkyl group, and R3 is a fluorenyl group. The compound of formula (I) includes pharmaceutically acceptable salts: The compound of formula (I) and salts thereof have 5-HT antagonism activity.

  本发明是一种化合物和药物组合物，包括式(I)的化合物：其中R1是4-(较低)烷基-咪唑-1-基或4,5-二(较低)烷基-咪唑-1-基基团，R2是氢原子或较低烷基基团，R3是芴基团。式(I)的化合物包括药用可接受的盐：式(I)的化合物及其盐具有5-HT拮抗活性。
• Redox-Neutral Photocatalytic C−H Carboxylation of Arenes and Styrenes with CO2
  作者：Matthias Schmalzbauer、Thomas D. Svejstrup、Florian Fricke、Peter Brandt、Magnus J. Johansson、Giulia Bergonzini、Burkhard König

  DOI：10.1016/j.chempr.2020.08.022

  日期：2020.10

  Carbon dioxide (CO2) is an attractive one-carbon (C1) building block in terms of sustainability and abundance. However, its low reactivity limits applications in organic synthesis as typically high-energy reagents are required to drive transformations. Here, we present a redox-neutral C─H carboxylation of arenes and styrenes using a photocatalytic approach. Upon blue-light excitation, the anthrolate

  就可持续性和丰富性而言，二氧化碳（CO 2）是有吸引力的一碳（C1）构建基块。但是，其低反应性限制了有机合成中的应用，因为通常需要高能试剂来驱动转化。在这里，我们介绍了使用光催化方法的芳烃和苯乙烯的氧化还原中性CH羧基化。在蓝光激发下，邻苯二甲酸根阴离子光催化剂能够将许多芳族化合物还原为相应的自由基阴离子，这些自由基阴离子会与CO 2反应得到羧酸。高通量筛选和计算分析表明，底物的电子亲和力和亲核性之间的正确平衡至关重要。这种新颖的方法使许多芳族化合物能够羧基化，包括许多经典的羧化化学中不容忍的化合物。超过50个使用CO 2或酮进行C-H官能化的例子说明了广泛的适用性。该方法为常见的芳烃的增值提供了新的机会，并可能在后期的CH羧基化中得到应用。

表征谱图