2-甲基-1-苯基-1H-苯并咪唑-5-羧酸 | 92437-43-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 中文名称: 2-甲基-1-苯基-1H-苯并咪唑-5-羧酸
• 英文名称: 2-methyl-1-phenyl-1H-benzoimidazole-5-carboxylic acid
• 英文别名: 2-methyl-1-phenylbenzimidazole-5-carboxylic acid；2-Methyl-1-phenyl-benzimidazol-carbonsaeure-(5)；2-Methyl-1-phenyl-1H-benzoimidazole-5-carboxylic acid
• CAS: 92437-43-9
• 化学式: C₁₅H₁₂N₂O₂
• mdl: MFCD00218479
• 分子量: 252.272
• InChiKey: HLIJMHKQYSUDOJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.066
• 拓扑面积：
  55.1
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2933990090
• 危险性防范说明：
  P261,P264,P270,P271,P280,P301+P312,P302+P352,P304+P340,P305+P351+P338,P330,P332+P313,P337+P313,P362,P403+P233,P405,P501
• 危险性描述：
  H302,H315,H319,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Methyl-1-phenyl-1h-benzoimidazole-5-carboxylic acid
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

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Section 3. Composition/information on ingredients.
Ingredient name: 2-Methyl-1-phenyl-1h-benzoimidazole-5-carboxylic acid
CAS number: 92437-43-9

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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.

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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.

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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.

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Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
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.
Store in closed vessels.
Storage:

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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.

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Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C15H12N2O2
Molecular weight: 252.3

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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.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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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.

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

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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.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2-甲基-1-苯基-1H-苯并咪唑-5-羧酸 、 2-氨基苯硫醇 在 草酰氯 、 碳酸氢钠 作用下， 以 四氢呋喃 、 氯仿 、 水 为溶剂， 反应 19.0h， 以25.5%的产率得到2-(2-methyl-1-phenyl-1H-benzoimidazol-5-yl)-benzothiazole
  参考文献：
  名称：

  AGENT FOR TREATMENT OR PREVENTION OF DISEASES ASSOCIATED WITH ACTIVITY OF NEUROTROPHIC FACTORS

  摘要：

  公开号：

  EP2436683B1
• 作为产物：
  描述：

  4-氟-3-硝基苯甲酸 在 palladium 10% on activated carbon 盐酸 、 氢气 作用下， 以 四氢呋喃 、 乙醇 、 甲苯 为溶剂， 反应 21.25h， 生成 2-甲基-1-苯基-1H-苯并咪唑-5-羧酸
  参考文献：
  名称：

  AGENT FOR TREATMENT OR PREVENTION OF DISEASES ASSOCIATED WITH ACTIVITY OF NEUROTROPHIC FACTORS

  摘要：

  公开号：

  EP2436683B1

文献信息

• PIPERIDIN-4-YL-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS
  申请人：Connolly Peter J.

  公开号：US20130102584A1

  公开（公告）日：2013-04-25

  Disclosed are compounds, compositions and methods for treating various diseases, syndromes, conditions and disorders, including pain. Such compounds, and enantiomers, diastereomers, and pharmaceutically acceptable salts thereof, are represented by Formula (I) as follows: wherein Y, Z, and R are defined herein.

  揭示了用于治疗各种疾病、综合症、症状和障碍的化合物、组合物和方法，包括疼痛。这些化合物及其对映体、二对映体和其药用可接受盐如下所示： 其中Y、Z和R在此处定义。
• DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS
  申请人：Connolly Peter J.

  公开号：US20120058986A1

  公开（公告）日：2012-03-08

  Disclosed are compounds, compositions and methods for treating various diseases, syndromes, conditions and disorders, including pain. Such compounds are represented by Formula (I) as follows: wherein Q and Z are defined herein.

  揭示了用于治疗各种疾病、综合症、症状和障碍的化合物、组合物和方法，包括疼痛。这些化合物由以下式（I）表示： 其中Q和Z在此处定义。
• [EN] AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS<br/>[FR] AZÉTIDINYL DIAMIDES EN TANT QU'INHIBITEURS DE LA MONOACYLGLYCÉROL LIPASE
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2010124082A1

  公开（公告）日：2010-10-28

  Disclosed are compounds, compositions and methods for treating various diseases, syndromes, conditions and disorders, including pain. Such compounds are represented by Formula (I), wherein Y, Z, R1, and s are defined herein.

  公开了用于治疗各种疾病、综合症、状况和障碍，包括疼痛的化合物、组合物和方法。这些化合物由式（I）表示，其中Y、Z、R1和s在此定义。
• Imidazo 4,5-C Pyridine Compounds and Methods of Antiviral Treatment
  申请人：Bondy S. Steven

  公开号：US20070244148A1

  公开（公告）日：2007-10-18

  The present invention relates to a pharmaceutical composition for the treatment or prevention of viral infections comprising as an active principle at least one imidazo[4,5-c]pyridine prodrug having the general formula (Z): The invention also relates to processes for the preparation of compounds according to the invention having above mentioned general formula and their use as a medicine or to treat or prevent viral infections.

  本发明涉及一种用于治疗或预防病毒感染的药物组合物，其包含至少一种具有以下通式（Z）的咪唑[4,5-c]吡啶前药作为活性成分：本发明还涉及制备符合上述通式的化合物的方法以及它们作为药物或用于治疗或预防病毒感染的用途。
• IMIDAZO[4,5-c]PYRIDINE COMPOUNDS AND METHODS OF ANTIVIRAL TREATMENT
  申请人：Bondy Steven S.

  公开号：US20100028301A1

  公开（公告）日：2010-02-04

  The present invention relates to pharmaceutical compositions for the treatment or prevention of viral infections comprising as an active principle at least one imidazo[4,5-c]pyridine prodrug having the general Formula (A) wherein the substituents are described in the specification. The invention also relates to processes for the preparation and screening of compounds according to the invention having above mentioned general Formula and their use in the treatment or prophylaxis of viral infections.

  本发明涉及一种制备用于治疗或预防病毒感染的药物组合物，其包含至少一种咪唑并[4,5-c]吡啶前药作为活性成分，其通式为（A），其中取代基在规范中描述。该发明还涉及根据上述通式制备和筛选化合物的方法以及它们在治疗或预防病毒感染中的应用。