2-氯-1-三苯甲基咪唑 | 67478-48-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 中文名称: 2-氯-1-三苯甲基咪唑
• 中文别名: 2-氯-1-三苯甲基-1H-咪唑
• 英文名称: 2-chloro-1-trityl-1H-imidazole
• 英文别名: 2-chloro-1-tritylimidazole
• CAS: 67478-48-2
• 化学式: C₂₂H₁₇ClN₂
• 分子量: 344.843
• InChiKey: JTMBWVKMAGHXKI-UHFFFAOYSA-N

物化性质

• 熔点：
  200-202℃

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  17.8
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2933290090

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
2-Chloro-1-trityl-1H-imidazole
Product Name:
Synonyms:

---

Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H315: Causes skin irritation
H319: Causes serious eye irritation
H335: May cause respiratory irritation
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing

---

Section 3. Composition/information on ingredients.
Ingredient name: 2-Chloro-1-trityl-1H-imidazole
CAS number: 67478-48-2

---

Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

---

Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

---

Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

---

Section 7. Handling and storage
This product should be handled only by, or under the close supervision of, those properly qualified
Handling:
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Storage: Store in closed vessels, refrigerated.

---

Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

---

Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C22H17ClN2
Molecular weight: 344.8

---

Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen chloride.

---

Section 11. Toxicological information
No data.

---

Section 12. Ecological information
No data.

---

Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

---

Section 14. Transportation information
Non-harzardous for air and ground transportation.

---

Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2-氯-1-三苯甲基咪唑 在 溶剂黄146 作用下， 以 甲醇 为溶剂， 反应 24.0h， 以0.7 g的产率得到2-氯咪唑
  参考文献：
  名称：

  Zeolitic Imidazolate Frameworks for Kinetic Separation of Propane and Propene

  摘要：

  Propane/propene separation by cryogenic distillation is one of the most energy and cost intensive industrial processes. Adsorptive separation is a more energy-efficient alternative. Three isostructural zinc imidazolate zeolitic framework materials are found, for the first time, to be very promising in the separation of propene and propane based on their different diffusion rates. Fine-tuning of the pore opening size is critical for this type of separation.

  DOI：

  10.1021/ja9039983
• 作为产物：
  描述：

  N-三苯甲基咪唑 在 正丁基锂 、 六氯乙烷 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 2.0h， 生成 2-氯-1-三苯甲基咪唑
  参考文献：
  名称：

  Zeolitic Imidazolate Frameworks for Kinetic Separation of Propane and Propene

  摘要：

  Propane/propene separation by cryogenic distillation is one of the most energy and cost intensive industrial processes. Adsorptive separation is a more energy-efficient alternative. Three isostructural zinc imidazolate zeolitic framework materials are found, for the first time, to be very promising in the separation of propene and propane based on their different diffusion rates. Fine-tuning of the pore opening size is critical for this type of separation.

  DOI：

  10.1021/ja9039983

文献信息

• Modular Chemoenzymatic Synthesis of GE81112 B1 and Related Analogues Enables Elucidation of Its Key Pharmacophores
  作者：Christian R. Zwick、Max B. Sosa、Hans Renata

  DOI：10.1021/jacs.0c13424

  日期：2021.1.27

  initiation. Herein we report the use of a chemoenzymatic strategy to complete the first total synthesis of GE81112 B1. By pairing iron and α-ketoglutarate dependent hydroxylases found in GE81112 biosynthesis with traditional synthetic methodology, we were able to access the natural product in 11 steps (longest linear sequence). Following this strategy, 10 GE81112 B1 analogues were synthesized, allowing for identification

  GE81112 复合物因其广泛的抗菌特性和独特的抑制细菌翻译起始的能力而备受关注。在此，我们报告了使用化学酶促策略完成 GE81112 B1 的首次全合成。通过将 GE81112 生物合成中发现的铁和 α-酮戊二酸依赖性羟化酶与传统合成方法配对，我们能够通过 11 个步骤（最长的线性序列）获得天然产物。遵循这一策略，合成了 10 个 GE81112 B1 类似物，从而确定了其关键药效团。我们药物化学工作的一个关键特征是在模块化类似物合成中加入额外的生物催化羟基化，以快速探索相关的化学空间。
• Daninos, Sophie; Mourabit, Ali Al; Ahond, Alain, Bulletin de la Societe Chimique de France, 1994, vol. 131, p. 590 - 599
  作者：Daninos, Sophie、Mourabit, Ali Al、Ahond, Alain、Zurita, Manuel Bedoya、Poupat, Christiane、Potier, Pierre

  DOI：——

  日期：——
• KIRK K. L., J. ORG. CHEM., 1978, 43, NO 22, 4381-4383
  作者：KIRK K. L.

  DOI：——

  日期：——
• Zeolitic Imidazolate Frameworks for Kinetic Separation of Propane and Propene
  作者：Kunhao Li、David H. Olson、Jonathan Seidel、Thomas J. Emge、Hongwei Gong、Heping Zeng、Jing Li

  DOI：10.1021/ja9039983

  日期：2009.8.5

  Propane/propene separation by cryogenic distillation is one of the most energy and cost intensive industrial processes. Adsorptive separation is a more energy-efficient alternative. Three isostructural zinc imidazolate zeolitic framework materials are found, for the first time, to be very promising in the separation of propene and propane based on their different diffusion rates. Fine-tuning of the pore opening size is critical for this type of separation.