4-(4-联苯基)-2-甲基噻唑 | 24864-19-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-(4-联苯基)-2-甲基噻唑
• 中文别名: 4-(4-联苯)-2-甲基噻唑
• 英文名称: 4-([1,1'-biphenyl]-4-yl)-2-methylthiazole
• 英文别名: 4-(biphenyl-4-yl)-2-methyl-1,3-thiazole；4-biphenyl-4-yl-2-methyl-thiazole；4-Biphenyl-4-yl-2-methyl-thiazol；4-(4-biphenylyl)-2-methyl-1,3-thiazole；2-Methyl-4-p-biphenylyl-thiazol；4-(4-Biphenylyl)-2-methylthiazole；2-methyl-4-(4-phenylphenyl)-1,3-thiazole
• CAS: 24864-19-5
• 化学式: C₁₆H₁₃NS
• mdl: MFCD00005333
• 分子量: 251.352
• InChiKey: OKOZRTTWERNRQS-UHFFFAOYSA-N

物化性质

• 熔点：
  113-118 °C
• 密度：
  1.1486 (rough estimate)
• 稳定性/保质期：
  遵照规定使用和储存，则不会分解。

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.062
• 拓扑面积：
  41.1
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 安全说明：
  S24/25
• 海关编码：
  2934100090
• WGK Germany：
  3
• 储存条件：
  存于阴凉干燥处。

SDS

Name:	4-(4-Biphenylyl)-2-Methylthiazole 97% Material Safety Data Sheet
Synonym:	None
CAS:	24864-19-5

Section 1 - Chemical Product MSDS Name:4-(4-Biphenylyl)-2-Methylthiazole 97% Material Safety Data Sheet
Synonym:None

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
24864-19-5	4-(4-Biphenylyl)-2-Methylthiazole	97	246-505-1

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation. The toxicological properties of this material have not been fully investigated.
Skin:
May cause skin irritation. The toxicological properties of this material have not been fully investigated.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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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 immediately.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid immediately.
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:

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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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Avoid generating dusty conditions. Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 24864-19-5: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
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: brown
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 112.00 - 115.00 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: N/A
Explosion Limits, upper: N/A
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C16H13NS
Molecular Weight: 251.35

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, oxides of sulfur, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 24864-19-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-(4-Biphenylyl)-2-Methylthiazole - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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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.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
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# 24864-19-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 24864-19-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 24864-19-5 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：

  4-(4-联苯基)-2-甲基噻唑 、 对甲苯磺酸乙酯 在 丙酮 作用下， 反应 3.0h， 生成 4-(Biphenyl-4-yl)-3-ethyl-2-methylthiazolium p-toluenesulfonate
  参考文献：
  名称：

  Heterocyclic compounds containing 4,6-bis-trichloromethyl-s-triazin-2-ly

  摘要：

  本发明揭示了一般式I的化合物##STR1##其中L表示氢原子，芳基自由基或式##STR2##的取代基，M表示烷基基团，烯基基团或1,2-芳基基团，Q表示硫、硒或氧原子，双烷基亚甲基基团，烯1,2-烷基基团，1,2-苯基基团或N-R.sup.1基团，表示烷基，芳基烷基，芳氧基烷基或烷氧基烷基基团，R.sup.2和R.sup.3表示氢原子或4,6-双三氯甲基-s-三嗪-2-基基团，n为0或1。这些化合物适用于作为光引发剂在受自由基或酸阳离子诱导反应的光敏系统中使用。这些化合物的特点是在可见光谱区域具有高灵敏度。

  公开号：

  US05055579A1
• 作为产物：
  描述：

  4-acetylbiphenyl oxime 、 乙酸酐 在 copper(l) iodide 、 potassium thioacyanate 作用下， 以 甲苯 为溶剂， 反应 24.0h， 以54%的产率得到4-(4-联苯基)-2-甲基噻唑
  参考文献：
  名称：

  在氧化还原-中性条件下通过铜催化的[3 + 1 + 1]型缩合反应获得噻唑

  摘要：

  本文开发了通过肟，酸酐和硫氰酸钾（KSCN）的铜催化的[3 + 1 + 1]型缩合反应制备噻唑的新策略。该转化具有良好的官能团耐受性，并且在温和的反应条件下以良好至优异的收率顺利形成了各种噻唑。此过程涉及铜催化的N–O / C–S键断裂，乙烯基sp 2 C–H键的活化以及在氧化还原中性条件下的C–S / C–N键形成以及操作简便性。

  DOI：

  10.1021/acs.joc.6b02124

文献信息

• Microwave-Assisted Synthesis of 2-Substituted 4-Biarylyl-1,3-thiazoles by Carbon-Carbon Cross-Coupling in Water
  作者：Kamal Dawood、Moteaa El-Deftar

  DOI：10.1055/s-0029-1218662

  日期：2010.3

  Suzuki-Miyaura and Heck-Mizoroki C-C cross-coupling reactions of 4-(halophenyl)-1,3-thiazoles with aryl(hetaryl)boronic acids or olefins, respectively, were investigated by using a catalytically active benzimidazole-based palladium(II) complex under both thermal and microwave heating conditions in water. The factors affecting the optimization of such reactions were evaluated. palladium - homogeneous

  使用具有催化活性的苯并咪唑基钯（II）研究了4-（卤代苯基）-1,3-噻唑与芳基（杂芳基）硼酸或烯烃的Suzuki-Miyaura和Heck-Mizoroki CC交叉偶联反应在水中的热和微波加热条件下都复杂。评估了影响此类反应最优化的因素。 钯-均相催化-杂环-交叉偶联-微波辅助合成
• FUNCTIONALIZED PYRROLIDINES AND USE THEREOF AS IAP INHIBITORS
  申请人：Laurent Alain

  公开号：US20120009141A1

  公开（公告）日：2012-01-12

  A compound of Formula 1: or a salt thereof, and methods for the use thereof, especially as an IAP inhibitor, as well as related compounds, compositions, and methods.

  一种化合物的化学式1，或其盐，以及其使用方法，特别是作为IAP抑制剂的方法，以及相关的化合物、组合物和方法。
• 4,6-Bis-trichlormethyl-s-triazin-2-ylgruppen enthaltende heterocyclische Verbindungen, Verfahren zu ihrer Herstellung und lichtempfindliches Gemisch, das diese Verbindungen enthält
  申请人：HOECHST AKTIENGESELLSCHAFT

  公开号：EP0332044A1

  公开（公告）日：1989-09-13

  Es werden Verbindungen der allgemeinen Formel I beschrieben, worin L      ein Wasserstoffatom, einen Arylrest oder einen Substituenten der Formel M      einen Alkylenrest oder Alkenylenrest oder einen 1,2-Arylenrest, Q      ein Schwefel-, Selen- oder Sauerstoffatom, eine Dialkylmethylengruppe, einen Alken-1,2-­ylenrest, einen 1,2-Phenylenrest oder eine Gruppe N-R¹, R¹      einen Alkyl-, Aralkyl-, Aryloxyalkyl- oder Alkoxyalkylrest, R² und R³      ein Wasserstoffatom oder eine 4,6-Bis-­trichlormethyl-s-triazin-2-yl-gruppe bedeuten und n = O oder 1 ist. Die Verbindungen sind als Photoinitiatoren in lichtemp­findlichen Systemen geeignet, die durch Radikale oder Säurekationen zur Reaktion gebracht werden, und zeich­nen sich durch eine hohe Empfindlichkeit im sichtbaren Spektralbereich aus.

  所述化合物的通式为 I 其中 L 是氢原子、芳基或式中的取代基 M 是亚烷基、烯基或 1,2-芳基、 Q 是硫、硒或氧原子、二烷基亚甲基、1,2-亚烯基、1,2-亚苯基或基团 N-R¹、 R¹ 是烷基、芳烷基、芳氧基烷基或烷氧烷基、 R² 和 R³ 表示氢原子或 4,6-双三氯甲基-s-三嗪-2-基团，且 n = O 或 1。 这些化合物可作为光敏体系中的光引发剂，与自由基或酸阳离子发生反应，在可见光谱范围内具有高灵敏度的特点。
• Sytsch, Ukrainskij Khimicheskij Zhurnal, 1956, vol. 22, p. 80,82
  作者：Sytsch

  DOI：——

  日期：——
• A Mass Spectrometric Labeling Strategy for High-Throughput Reaction Evaluation and Optimization: Exploring C−H Activation
  作者：Jason W. Szewczyk、Rebecca L. Zuckerman、Robert G. Bergman、Jonathan A. Ellman

  DOI：10.1002/1521-3773(20010105)40:1<216::aid-anie216>3.0.co;2-k

  日期：2001.1.5