2-(2,3-二氢-1-苯并呋喃-5-基)-1,3-噻唑-4-羰酰氯 | 306936-10-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 香豆素
• 中文名称: 2-(2,3-二氢-1-苯并呋喃-5-基)-1,3-噻唑-4-羰酰氯
• 英文名称: 2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carbonyl chloride
• CAS: 306936-10-7
• 化学式: C₁₂H₈ClNO₂S
• mdl: MFCD01571246
• 分子量: 265.72
• InChiKey: FRELABMUDPYWKB-UHFFFAOYSA-N

物化性质

• 熔点：
  133 °C
• 沸点：
  429.6±55.0 °C(Predicted)
• 密度：
  1.444±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  67.4
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xi
• 海关编码：
  2934100090

SDS

Name:	2-(2 3-Dihydro-1-benzofuran-5-yl)-1 3-thiazole-4-carbonyl chloride Material Safety Data Sheet
Synonym:
CAS:	306936-10-7

Section 1 - Chemical Product MSDS Name:2-(2 3-Dihydro-1-benzofuran-5-yl)-1 3-thiazole-4-carbonyl chloride Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
306936-10-7	2-(2,3-Dihydro-1-benzofuran-5-yl)-1,3-	95+%	unlisted

Hazard Symbols: C
Risk Phrases: 34

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Causes burns.Moisture sensitive.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
Not available.

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Section 4 - FIRST AID MEASURES
Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do not induce vomiting. Get medical aid immediately. Wash mouth out with water.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
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 foam, dry chemical, or carbon dioxide.

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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:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Corrosives area. Store under nitrogen.

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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# 306936-10-7: 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: light brown
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 125 - 128 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: C12H8ClNO2S
Molecular Weight: 266

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials, exposure to moist air or water.
Incompatibilities with Other Materials:
Strong oxidizing agents, bases, amines.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide, acrid smoke and fumes.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 306936-10-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-(2,3-Dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carbonyl chloride - 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
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.*
Hazard Class: 8
UN Number: 3261
Packing Group: III
IMO
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3261
Packing Group: III
RID/ADR
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3261
Packing group: III

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 34 Causes burns.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 306936-10-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 306936-10-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 306936-10-7 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-(2,3-二氢-1-苯并呋喃-5-基)-1,3-噻唑-4-羰酰氯 、 4-氨基-1-甲基-1H-吡唑-5-甲酰胺 在 4-二甲氨基吡啶 、 三乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基乙酰胺 为溶剂， 反应 18.5h， 生成 N-[5-(Aminocarbonyl)-1-methyl-1H-pyrazol-4-yl]-2-(2,3-dihydro-5-benzofuranyl)-4-thiazolecarboxamide
  参考文献：
  名称：

  Novel 2-arylthiazole-4-carboxamide derivatives, their preparation and use as pharmaceuticals

  摘要：

  本发明涉及公式（I）的2-芳基噻唑-4-羧酰胺衍生物，其用作治疗各种疾病的药物，以及其制备方法。

  公开号：

  US20090163486A1
• 作为试剂：
  描述：

  4-氨基-1-甲基-1H-吡唑-5-甲酰胺 、 二氯甲烷 、 N,N-二甲基乙酰胺 、 2-(2,3-二氢-1-苯并呋喃-5-基)-1,3-噻唑-4-羰酰氯 在 4-二甲氨基吡啶 2-(2,3-二氢-1-苯并呋喃-5-基)-1,3-噻唑-4-羰酰氯 作用下， 以 三乙胺 为溶剂， 反应 18.5h， 生成 N-[5-(Aminocarbonyl)-1-methyl-1H-pyrazol-4-yl]-2-(2,3-dihydro-5-benzofuranyl)-4-thiazolecarboxamide
  参考文献：
  名称：

  2-arylthiazole-4-carboxamide derivatives, their preparation and use as pharmaceuticals

  摘要：

  本发明涉及式(I)的2-芳基噻唑-4-羧酰胺衍生物，其用作治疗各种疾病的药物以及其制备过程。

  公开号：

  US08163739B2

文献信息

• PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF
  申请人：MORITA Kohei

  公开号：US20100093819A1

  公开（公告）日：2010-04-15

  A compound represented by the following general formula (1) or a salt thereof, which has superior inhibitory activity against type 4 PLA 2 , and thus has prostaglandin and/or leucotriene production suppressing action [X represents a halogen atom, an alkyl group which may be substituted, or the like, Y represents hydrogen atom or an alkyl group which may be substituted, and Z represents hydrogen atom or an alkyl group which may be substituted].

  由以下一般式（1）表示的化合物或其盐，具有优越的抑制对4型PLA2的活性，因此具有前列腺素和/或白三烯产生抑制作用【X代表卤素原子、可能被取代的烷基或类似物，Y代表氢原子或可能被取代的烷基，Z代表氢原子或可能被取代的烷基】。
• 2,3-DIHYDROBENZOFURAN-5YL COMPOUNDS AS DYRK KINASE INHIBITORS
  申请人：4SC DISCOVERY GMBH

  公开号：US20160137637A1

  公开（公告）日：2016-05-19

  The present invention relates to compounds of below Formula (I), physiologically functional derivatives or salts thereof, where the groups R 1 , R 2 , R 3 , R 4 , R A , X 1 , and A, as well as the variables n, m and p are detailed further herein. In another aspect, the present invention provides methods for their preparation, their medical use and pharmaceutical compositions comprising said compounds, physiologically functional derivatives, solvates or salts thereof.

  本发明涉及以下公式（I）的化合物，其生理学功能衍生物或盐，其中R1，R2，R3，R4，RA，X1和A组，以及变量n，m和p的详细信息在此进一步说明。在另一方面，本发明提供了制备它们的方法，它们的医学用途和包含所述化合物、生理学功能衍生物、溶剂化物或其盐的制药组合物。
• 2-Aryl-thiazol-4-carbonsäureamid-Derivate, deren Herstellung und Verwendung als Arzneimittel
  申请人：Bayer Schering Pharma Aktiengesellschaft

  公开号：EP2070916A1

  公开（公告）日：2009-06-17

  Die vorliegende Erfindung betrifft 2-Arylthiazol-4-carbonsäureamid-Derivate der Formel (I), deren Verwendung als Medikament zur Behandlung verschiedener Erkrankungen, sowie Verfahren zur deren Herstellung

  本发明涉及式（I）的 2-芳基噻唑-4-甲酰胺衍生物、其作为治疗各种疾病的药物的用途及其制备方法
• 2,3-dihydrobenzofuran-5YL compounds as DYRK kinase inhibitors
  申请人：4SC DISCOVERY GMBH

  公开号：US10005769B2

  公开（公告）日：2018-06-26

  The present invention relates to compounds of below Formula (I), physiologically functional derivatives or salts thereof, where the groups R1, R2, R3, R4, RA, X1, and A, as well as the variables n, m and p are detailed further herein. In another aspect, the present invention provides methods for their preparation, their medical use and pharmaceutical compositions comprising said compounds, physiologically functional derivatives, solvates or salts thereof.

  本发明涉及下式（I）化合物、其生理功能衍生物或盐类，其中基团 R1、R2、R3、R4、RA、X1 和 A 以及变量 n、m 和 p 在此进一步详述。 在另一方面，本发明提供了包含上述化合物、其生理功能衍生物、溶液或盐的制备方法、医疗用途和药物组合物。
• [EN] 2,3-DIHYDROBENZOFURAN-5-YL COMPOUNDS AS DYRK KINASE INHIBITORS<br/>[FR] COMPOSÉS 2,3-DIHYDROBENZOFURAN-5-YL UTILISÉS COMME INHIBITEURS DE KINASES DYRK
  申请人：4SC DISCOVERY GMBH

  公开号：WO2014202638A9

  公开（公告）日：2016-03-03