2-氨基-4-(2-呋喃)噻吩-3-羧酸乙酯 | 256506-99-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 中文名称: 2-氨基-4-(2-呋喃)噻吩-3-羧酸乙酯
• 英文名称: 2-amino-4-(2-furanyl)thiophene-3-carboxylic acid ethyl ester
• 英文别名: ethyl 2-amino-4-(furan-2-yl)thiophene-3-carboxylate；ethyl 2-amino-4-(2-furyl)thiophene-3-carboxylate
• CAS: 256506-99-7
• 化学式: C₁₁H₁₁NO₃S
• mdl: MFCD00126394
• 分子量: 237.279
• InChiKey: JMLBJOYPNPOBKV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.181
• 拓扑面积：
  93.7
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 安全说明：
  S24/25

SDS

Name:	Ethyl 2-amino-4-(2-furyl)thiophene-3-carboxylate 97% Material Safety Data Sheet
Synonym:
CAS:	256506-99-7

Section 1 - Chemical Product MSDS Name:Ethyl 2-amino-4-(2-furyl)thiophene-3-carboxylate 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
256506-99-7	Ethyl 2-amino-4-(2-furyl)thiophene-3-c	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:
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:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 256506-99-7: 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: red
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: C11H11NO3S
Molecular Weight: 237.28

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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:
Nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 256506-99-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Ethyl 2-amino-4-(2-furyl)thiophene-3-carboxylate - 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# 256506-99-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 256506-99-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 256506-99-7 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-氨基-4-(2-呋喃)噻吩-3-羧酸乙酯 在 盐酸 、 水 、 ammonium formate 、 potassium carbonate 作用下， 以 1,4-二氧六环 、 N,N-二甲基甲酰胺 为溶剂， 反应 62.5h， 生成 3-[5-(Furan-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoic acid
  参考文献：
  名称：

  Novel 4-Oxothienopyrimidinyl Propanoic Acid Derivatives as AMPActivated Protein Kinase (AMPK) Activators

  摘要：

  腺苷5'-单磷酸(AMP)激活的蛋白激酶(AMPK)是一种高度保守的细胞能量感应器。AMPK已被确认为调节哺乳动物代谢功能的关键因子,并已成为治疗包括肥胖和2型糖尿病在内的代谢紊乱的理想靶点。本文描述了新型3-(4-氧代噻吩并[2,3-d]嘧啶-3(4H)-基)丙酸衍生物作为AMPK激活剂的合成和生物学评价。体内实验证明了本系列中的先导化合物具有降低血浆葡萄糖水平的原理验证作用。

  DOI：

  10.2174/1570180811666140122003044
• 作为产物：
  描述：

  2-乙酰基呋喃 、 氰乙酸乙酯 在 吗啉 、 1,2,3,4,5,6,7,8-八硫杂环辛烷 作用下， 以 乙醇 为溶剂， 反应 0.58h， 生成 2-氨基-4-(2-呋喃)噻吩-3-羧酸乙酯
  参考文献：
  名称：

  Novel 4-Oxothienopyrimidinyl Propanoic Acid Derivatives as AMPActivated Protein Kinase (AMPK) Activators

  摘要：

  腺苷5'-单磷酸(AMP)激活的蛋白激酶(AMPK)是一种高度保守的细胞能量感应器。AMPK已被确认为调节哺乳动物代谢功能的关键因子,并已成为治疗包括肥胖和2型糖尿病在内的代谢紊乱的理想靶点。本文描述了新型3-(4-氧代噻吩并[2,3-d]嘧啶-3(4H)-基)丙酸衍生物作为AMPK激活剂的合成和生物学评价。体内实验证明了本系列中的先导化合物具有降低血浆葡萄糖水平的原理验证作用。

  DOI：

  10.2174/1570180811666140122003044

文献信息

• NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS
  申请人：Carroll William A.

  公开号：US20090018114A1

  公开（公告）日：2009-01-15

  The present application relates to cannabinoid receptor ligands containing compounds of formula (I) wherein A, R 1 , R 2 , and R 3 are as defined in the specification. The present application also relates to compositions comprising such compounds, and methods of treating conditions and disorders using such compounds and compositions.

  本申请涉及含有式(I)化合物的大麻素受体配体，其中A、R1、R2和R3如规范中所定义。本申请还涉及包含这种化合物的组合物，以及使用这种化合物和组合物治疗疾病和疾病的方法。
• [EN] ANTHELMINTIC AND INSECTICIDAL THIOPHENE DERIVATIVES<br/>[FR] VERMIFUGES ET INSECTICIDES A BASE DE DERIVES THIOPHENIQUES
  申请人：UPJOHN CO

  公开号：WO2003101979A1

  公开（公告）日：2003-12-11

  Novel anthelmintic compositions containing thiophene derivatives as active ingredients are disclosed.

  新的含有噻吩衍生物作为活性成分的驱虫剂组合物被揭示。
• Synthesis and preliminary evaluation of some N-[5-(2-furanyl)-2-methyl-4-oxo-4H-thieno[2,3-d]pyrimidin-3-yl]-carboxamide and 3-substituted-5-(2-furanyl)-2-methyl-3H-thieno[2,3-d]pyrimidin-4-ones as antimicrobial agents
  作者：R Chambhare

  DOI：10.1016/s0223-5234(02)01442-3

  日期：2003.1

  vitro. In general, along with the thienopyrimidinone ring, substituted amido or imino side chain at position 3 is essential for antimicrobial activity. Among the compounds tested, compounds 4c, 4e and 4g in N-[5-(2-furanyl)-2-methyl-4-oxo-4H-thieno[2,3-d]pyrimidin-3-yl]-carboxamide series and compounds 5c, 5e and 5g in 3-substituted-5-(2-furanyl)-2-methyl-3H-thieno[2,3-d]pyrimidin-4-ones series were found

  两个系列的N- [5-（2-呋喃基）-2-甲基-4-氧代-4H-噻吩并[2,3-d]嘧啶-3-基]-羧酰胺（4a-m）和3-取代的-使用适当的合成途径合成了5-（2-呋喃基）-2-甲基-3H-噻吩并[2,3-d]嘧啶-4-酮（5a-m）。在体外对所有测试化合物4a-m和5a-m进行了针对两种不同革兰氏阴性菌（大肠杆菌和鼠伤寒沙门氏菌）和革兰氏阳性菌（金黄色葡萄球菌，枯草芽孢杆菌）的抗菌活性的检测。评价了抗结核分枝杆菌和鸟分枝杆菌菌株的抗分枝杆菌活性。确定了测试化合物和参考标准品的最小抑菌浓度（MIC）。当在体外测试时，测试化合物对所有使用的微生物菌株显示出显着的抗菌和抗分枝杆菌活性。通常，连同噻吩并嘧啶酮环，3位取代的酰胺基或亚氨基侧链对抗菌活性至关重要。在测试的化合物中，N- [5-（2-呋喃基）-2-甲基-4-氧代-4H-硫代[2,3-d]嘧啶-3-基]-羧酰胺系列的化合物4c，4e和
• Process for the preparation of 4-hydroxythieno[2,3-b]pyridine-5-carbonitriles
  申请人：Boschelli Harris Diane

  公开号：US20080076926A1

  公开（公告）日：2008-03-27

  A process for the preparation of 4-hydroxythieno[2,3-b]pyridine-5-carbonitriles, which can be useful for the preparation of protein kinase inhibitors, is provided.

  提供一种制备4-羟基噻吩[2,3-b]吡啶-5-碳腈的方法，该方法可用于制备蛋白激酶抑制剂。
• CERTAIN THIENOPYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS
  申请人：Liu Ruiping

  公开号：US20100010017A1

  公开（公告）日：2010-01-14

  Certain thienopyrimidine derivatives are useful for the inhibition of PDE10 enzymes, and thus are useful for treating psychiatric or neurological syndromes, e.g., psychoses, obsessive-compulsive disorder and/or Parkinson's disease, as well as, for example, treating a disease state modulated by PDE10 activity.

  某些噻唑嘧啶衍生物可用于抑制PDE10酶，因此可用于治疗精神病或神经系统综合症，例如精神病、强迫症和/或帕金森病，以及治疗受PDE10活性调节的疾病状态。