噻吩-3-醋酸肼 | 175276-94-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 中文名称: 噻吩-3-醋酸肼
• 中文别名: 噻吩-3-乙酸肼；2-(3-噻吩基)乙醇肼
• 英文名称: 2-(thiophen-3-yl)acetohydrazide
• 英文别名: [3]thienyl-acetic acid hydrazide；[3]Thienyl-essigsaeure-hydrazid；thiophen-3-ylacetic acid hydrazide；thiophene-3-acetic hydrazide；2-thiophen-3-ylacetohydrazide
• CAS: 175276-94-5
• 化学式: C₆H₈N₂OS
• mdl: MFCD00052946
• 分子量: 156.208
• InChiKey: YNMRDHMMFCGQBD-UHFFFAOYSA-N

物化性质

• 熔点：
  85-86°C
• 稳定性/保质期：
  避氧化物

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  83.4
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S36
• 危险类别码：
  R36/37/38
• 海关编码：
  2934999090

SDS

Name:	2-(3-Thienyl)ethanohydrazide 97% Material Safety Data Sheet
Synonym:	Thiophene-3-acetic acid hydrazide2-(Thien-3-yl)acetic acid hydrazid
CAS:	175276-94-5

Section 1 - Chemical Product MSDS Name:2-(3-Thienyl)ethanohydrazide 97% Material Safety Data Sheet
Synonym:Thiophene-3-acetic acid hydrazide2-(Thien-3-yl)acetic acid hydrazid

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
175276-94-5	2-(3-Thienyl)ethanohydrazide	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. Combustion generates toxic fumes.
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# 175276-94-5: 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: off-white - white crystalline solid
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 80 - 83 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: C6H8N2OS
Molecular Weight: 156

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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, acid chlorides, acids.
Hazardous Decomposition Products:
Hydrogen cyanide, nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Not available.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 175276-94-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-(3-Thienyl)ethanohydrazide - 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# 175276-94-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 175276-94-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 175276-94-5 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：

  噻吩-3-醋酸肼 、 3-甲氧基苯腈 在 potassium carbonate 作用下， 以 正丁醇 为溶剂， 反应 2.5h， 以50%的产率得到3-(3-methoxyphenyl)-5-(thiophen-3-ylmethyl)-1H-1,2,4-triazole
  参考文献：
  名称：

  A base-catalyzed, direct synthesis of 3,5-disubstituted 1,2,4-triazoles from nitriles and hydrazides

  摘要：

  A convenient and efficient one step, base-catalyzed synthesis of 3,5-disubstituted 1,2,4-triazoles by the condensation of a nitrile and a hydrazide is presented. A diverse range of functionality and heterocycles are tolerated under the reaction conditions developed, and the reactivity of the nitrile partner is relatively insensitive to electronic effects. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.02.167
• 作为产物：
  描述：

  噻吩-3-乙酸乙酯 在 乙醇 、 一水合肼 作用下， 生成 噻吩-3-醋酸肼
  参考文献：
  名称：

  Chemotherapy of Experimental Tuberculosis. VIII. The Synthesis of Acid Hydrazides, their Derivatives and Related Compounds^1,2

  摘要：

  DOI：

  10.1021/ja01104a046

文献信息

• INHIBITORS OF FATTY ACID AMIDE HYDROLASE
  申请人：INFINITY PHARMACEUTICALS, INC.

  公开号：US20150368278A1

  公开（公告）日：2015-12-24

  The present invention provides compounds, and pharmaceutically acceptable compositions thereof, encompassed by any of formulae (I), (II), (III), (IV), (V), or (VI), or subgenera thereof. The present invention also provides methods for treating an FAAH mediated disease, disorder or condition by administering a therapeutically effective amount of a compound or composition comprising a compound of any of formulae (I), (II), (III), (IV), (V), or (VI), or subgenera thereof, to a patient in need thereof. Additionally, the present invention provides methods for inhibiting FAAH by administering a therapeutically effective amount of a compound or composition comprising a compound of any of formulae (I), (II), (III), (IV), (V), or (VI), or subgenera thereof, to a patient in need thereof.

  本发明提供了由任何公式（I）、（II）、（III）、（IV）、（V）或（VI）中的任何化合物及其药学上可接受的组合物所包含的范围，或其亚属所包含的范围。本发明还提供了通过向需要的患者投与任何公式（I）、（II）、（III）、（IV）、（V）或（VI）中的任何化合物或其组合物的治疗有效量来治疗FAAH介导的疾病、紊乱或症状的方法。此外，本发明提供了通过向需要的患者投与任何公式（I）、（II）、（III）、（IV）、（V）或（VI）中的任何化合物或其组合物的治疗有效量来抑制FAAH的方法。
• 4-haloalkyl-3-heterocyclylpyridines and 4-haloalkyl-5-heterocyclylpyrimidines, processes for their preparation, compositions comprising them, and their use as pesticides
  申请人：Hoechst Schering AgrEvo GmbH

  公开号：US06239160B1

  公开（公告）日：2001-05-29

  The present invention relates to 4-haloalkyl-3-heterocyclylpyridines and 4-haloalkyl-5-heterocyclylpyrimidines of the formula (I), to processes for their preparation, to compositions comprising them, and to the use of these compounds for controlling animal pests, in particular insects, spider mites, ectoparasites and helminths. In the formula (I), Q is a 5-membered heterocyclic group which is optionally substituted by halogen or organic radicals, Y is halo-C1-C8-alkyl, X is CH or N and m is 0 or 1.

  本发明涉及式(I)的4-卤代烷基-3-杂环基吡啶和4-卤代烷基-5-杂环基嘧啶，以及它们的制备方法、包含它们的组合物，以及利用这些化合物来控制动物害虫，特别是昆虫、蜘蛛螨、外寄生虫和蠕虫。在式(I)中，Q是一个5-成员杂环基，可选择地被卤素或有机基取代，Y是卤代C1-C8-烷基，X是CH或N，m为0或1。
• 4-haloalkyl-3-heterocyclylpyridines, 4-haloalkyl-5-heterocyclyl-pyrimidines and 4-trifluoromethyl-3-oxadiazolylpyridines, processes for their preparation, compositions comprising them, and their use as pesticides
  申请人：——

  公开号：US20030162812A1

  公开（公告）日：2003-08-28

  The present invention relates to 4-Haloalkyl-3-heterocyclylpyridines, 4-haloalkyl-5-heterocyclyl-pyrimidines and 4-trifluoromethyl-3-oxadiazolylpyridines, Processes for Their Preparation, Compositions Comprising Them, and Their Use as Pesticides More particularly, the present invention relates to 4-trifluoromethyl-3-oxadiazolylpyridines of the formula (I′), to processes for their preparation, to compositions comprising them and to the use of these compounds for controlling animal pests, in particular insects, spider mites, ectoparasites and helminths: 1 wherein X, Y are as defined in the description.

  本发明涉及4-卤代烷基-3-杂环基吡啶、4-卤代烷基-5-杂环基嘧啶和4-三氟甲基-3-噁二唑基吡啶，以及它们的制备方法、包含它们的组合物和它们作为杀虫剂的用途。更具体地，本发明涉及式(I′)的4-三氟甲基-3-噁二唑基吡啶，其制备方法，包含它们的组合物以及这些化合物用于控制动物害虫，特别是昆虫、蜘蛛螨、外寄生虫和蠕虫的用途：其中X、Y如描述中所定义。
• 4-HALOALKYL-3-HETEROCYCLYLPYRIDINES, 4-HALOALKYL-5-HETEROCYCLYL-PYRIMIDINES AND 4-TRIFLUOROMETHYL-3-OXADIAZOLYLPYRIDINES, PROCESSES FOR THEIR PREPARATION, COMPOSITIONS COMPRISING THEM, AND THEIR USE AS PESTICIDES
  申请人：Hoechst Schering AgrEvo GmbH

  公开号：US06699853B2

  公开（公告）日：2004-03-02

  The present invention relates to 4-Haloalkyl-3-heterocyclylpyridines, 4-haloalkyl-5-heterocyclyl-pyrimidines and 4-trifluoromethyl-3-oxadiazolylpyridines, Processes for Their Preparation, Compositions Comprising Them, and Their Use as Pesticides More particularly, the present invention relates to 4-trifluoromethyl-3-oxadiazolylpyridines of the formula (I′), to processes for their preparation, to compositions comprising them and to the use of these compounds for controlling animal pests, in particular insects, spider mites, ectoparasites and helminths: wherein X, Y are as defined in the description.

  本发明涉及4-卤代烷基-3-杂环基吡啶、4-卤代烷基-5-杂环基嘧啶和4-三氟甲基-3-氧代噻唑基吡啶，它们的制备方法，包含它们的组合物以及它们作为杀虫剂的用途。更具体地，本发明涉及式(I′)的4-三氟甲基-3-氧代噻唑基吡啶，其制备方法，包含它们的组合物以及利用这些化合物控制动物害虫，特别是昆虫、蜘蛛螨、寄生虫和蠕虫的用途：其中X、Y如描述中所定义。
• Synthesis and Studies of Fluorescein Based Derivatives for their Optical Properties, Urease Inhibition and Molecular Docking
  作者：Prasad G. Mahajan、Nilam C. Dige、Balasaheb D. Vanjare、Hussain Raza、Mubashir Hassan、Sung-Yum Seo、Seong-Karp Hong、Ki Hwan Lee

  DOI：10.1007/s10895-018-2291-7

  日期：2018.11

  compounds for urease inhibition. The compound FB3 (IC50 = 0.0456 μM) shows 100 fold more active against Jack bean urease than standard drug thiourea (IC50 = 4.7455 μM). Other synthesized compounds showed potent activity. Free radical percentage scavenging assay further supported the capacity of compounds to urease inhibition. While, molecular docking simulations helps to examine the molecular interactions

  本文中，我们通过原位形成荧光素酯设计并合成了新的荧光素基衍生物，并进一步用相应的酰肼和胺进行处理，得到了相应的化合物，即FB1，FB2，FB3和FB4。光谱纯度和表征通过使用IR，NMR和质谱进行。使用各种有机溶剂检查了合成衍生物的光物理性质，并详细讨论了结果。合成化合物的结构多样性促使我们评估这些化合物对脲酶的抑制作用。化合物FB3（IC 50  = 0.0456μM）的抗菜豆脲酶活性比标准药物硫脲（IC 50 = 4.7455μM）。其他合成的化合物显示出有效的活性。自由基清除率试验进一步支持了化合物抑制脲酶的能力。同时，分子对接模拟有助于检查尿素酶结合位点内活性化合物FB1，FB2，FB3和FB4的分子相互作用。