6-氯咪唑-噻唑 | 23576-81-0

• 物质功能分类: 有机原料 - 杂环化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并噻唑类
• 中文名称: 6-氯咪唑-噻唑
• 中文别名: 6-氯咪唑并[2,1-B]噻唑；6-氯咪唑并[2,1-b][1,3]噻唑；6-氯咪唑并[2,1-±]噻唑；6-氯咪唑并[2,1-b]噻唑
• 英文名称: 6-chloroimidazo[2,1-b]thiazole
• 英文别名: 6-chloro-imidazo[2,1-b]thiazole；6-chloroimidazo-[2,1-b]thiazole；6-Chlor-imidazo<2,1-b>thiazol；6-chloroimidazo[2,1-b][1,3]thiazole
• CAS: 23576-81-0
• 化学式: C₅H₃ClN₂S
• mdl: MFCD00173802
• 分子量: 158.611
• InChiKey: WOZMDYAJHVHPMD-UHFFFAOYSA-N

物化性质

• 熔点：
  85 °C
• 密度：
  1.66±0.1 g/cm3(Predicted)
• 稳定性/保质期：

  如果按照规格使用和储存，则不会分解，请避免接触氧化物。

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  45.5
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2934100090
• 危险性防范说明：
  P233,P260,P261,P264,P270,P271,P280,P301+P312,P302+P352,P304
• 危险性描述：
  H302,H315,H319,H332,H335

SDS

Name:	6-Chloroimidazo[2 1-b][1 3]thiazole 97% Material Safety Data Sheet
Synonym:
CAS:	23576-81-0

Section 1 - Chemical Product MSDS Name:6-Chloroimidazo[2 1-b][1 3]thiazole 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
23576-81-0	6-Chloroimidazo[2,1-b][1,3]thiazole	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# 23576-81-0: 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: clear pale brown
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 82 - 84 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: C5H3ClN2S
Molecular Weight: 158.61

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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, reducing agents, acids.
Hazardous Decomposition Products:
Hydrogen chloride, hydrogen cyanide, nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen sulfide.
Hazardous Polymerization: Not available.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 23576-81-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
6-Chloroimidazo[2,1-b][1,3]thiazole - 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# 23576-81-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 23576-81-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 23576-81-0 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

制备方法与用途

用途

• 这部分描述了该功能或产品的用途。

反应信息

• 作为反应物：
  描述：

  6-氯咪唑-噻唑 在 N-甲基吡咯烷酮 、 硫酸 、 potassium carbonate 作用下， 以 N-甲基吡咯烷酮 为溶剂， 反应 42.0h， 生成 4-(6-chloroimidazo[2,1-b]thiazol-5-yl)pyrimidin-2-amine
  参考文献：
  名称：

  [EN] PYRIMIDINE INHIBITORS OF KINASE ACTIVITY
  [FR] INHIBITEURS PYRIMIDINES DE L'ACTIVITÉ KINASE

  摘要：

  本发明涉及式(I)的化合物或其药用可接受的盐或溶剂，其中G1、R2、R3、R4、R5、n、p、q、Ar1和Ar2在描述中有定义。本发明还涉及制备所述化合物的方法，以及包含所述化合物的组合物，用于抑制IGF-IR等激酶。

  公开号：

  WO2010138576A1

文献信息

• Indolylalkylidenehydrazine-carboximidamide derivatives as 5-hydroxytryptamine-6 ligands
  申请人：Wyeth

  公开号：US20040002527A1

  公开（公告）日：2004-01-01

  The present invention provides a compound of formula I and the use thereof for the therapeutic treatment of a disorder relating to or affected by the 5-HT6 receptor. 1

  本发明提供了一种公式I的化合物，以及该化合物用于治疗与5-HT6受体相关或受其影响的疾病。
• Indolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands
  申请人：Wyeth

  公开号：US20030171353A1

  公开（公告）日：2003-09-11

  The present invention provides a compound of formula I and the use thereof for the therapeutic treatment of disorders relating to or affected by the 5-HT6 receptor. 1

  本发明提供了一种I式化合物及其用于治疗与5-HT6受体相关或受其影响的疾病的用途。
• Substituted N-imidazo(2, 1-b) thiazole-5-sulfonamide derivatives as 5-TH6 ligands
  申请人：Laboratorios Del. Dr. Esteve, S.A.

  公开号：EP2116547A1

  公开（公告）日：2009-11-11

  The invention relates to compounds (I) having pharmacological activity towards the 5-HT6 receptor, and more particularly to some N-imidazo[2,1-b]thiazole-5-sulfonamide derivatives, to processes of preparation of such compounds, to pharmaceutical compositions comprising them, and to their use for the treatment and or prophylaxis of a disease in which 5-HT6 is involved.

  该发明涉及具有对5-HT6受体具有药理活性的化合物(I)，更具体地涉及一些N-咪唑[2,1-b]噻唑酮-5-磺酰胺衍生物，以及制备这些化合物的方法，包括含有它们的药物组合物，以及它们用于治疗和/或预防涉及5-HT6的疾病。
• Phosphorylation of imidazo[2,1-b]thiazoles with phosphorus(III) halides in the presence of bases
  作者：Evgenij V. Zarudnitskii、Aleksandr A. Yurchenko、Anatolij S. Merkulov、Marina G. Semenova、Aleksandr M. Pinchuk、Andrej A. Tolmachev

  DOI：10.1002/hc.20166

  日期：——

  The reaction of phosphorus(III) halides with 6-substituted imidazo[2,1-b]thiazoles in the presence of bases proceeds regioselectively and affords 5-phosphinoimidazo[2,1-b]thiazoles, useful synthons for the preparation of various P(III) and P(V) derivatives. 5-Phosphinoimidazo[2,1-b]thiazoles are selectively alkylated at the phosphorus or heterocyclic nitrogen atom, depending on the alkylating agent

  在碱的存在下，卤化磷 (III) 与 6-取代的咪唑并 [2,1-b] 噻唑的反应具有区域选择性，并提供 5-膦基咪唑并 [2,1-b] 噻唑，这是制备各种磷的有用合成子(III) 和 P(V) 衍生物。5-膦基咪唑并[2,1-b]噻唑在磷或杂环氮原子处被选择性地烷基化，这取决于烷基化剂。© 2005 Wiley Periodicals, Inc. 杂原子化学 16:648–655, 2005; 在线发表于 Wiley InterScience (www.interscience.wiley.com)。DOI 10.1002/hc.20166
• Copper-Mediated Trifluoromethylation of Heteroaromatic Compounds by Trifluoromethyl Sulfonium Salts
  作者：Cheng-Pan Zhang、Zong-Ling Wang、Qing-Yun Chen、Chun-Tao Zhang、Yu-Cheng Gu、Ji-Chang Xiao

  DOI：10.1002/anie.201006823

  日期：2011.2.18

  Copper is king! A convenient method for the synthesis of trifluoromethylated heteroaromatic compounds under mild conditions has been developed based on the observation that 1 can be reduced by certain metals (see scheme). Substrate 1 is assumed to be reduced by copper via a single‐electron transfer mechanism, and CuCF3 is the most probable intermediate in this reaction. DMF=N,N‐dimethylformamide, Tf=triflate

  铜为王！基于观察到某些金属可以还原1的现象，开发了一种在温和条件下合成三氟甲基化杂芳族化合物的简便方法（参见方案）。假设通过单电子转移机理将底物1还原为铜，而CuCF 3是该反应中最可能的中间体。DMF = N，N-二甲基甲酰胺，Tf =三氟甲磺酸。