1,2-二甲基-1H-苯并咪唑-5-羧酸 | 90915-18-7

• 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: 1,2-二甲基-1H-苯并咪唑-5-羧酸
• 中文别名: 1,2-二甲基苯并二唑-5-羧酸
• 英文名称: 1,2-dimethyl-1H-benzo[d]imidazole-5-carboxylic acid
• 英文别名: 1.2-Dimethyl-benzimidazol-carbonsaeure-(5)；1,2-dimethyl-1H-benzimidazole-5-carboxylic acid；1,2-dimethyl-1H-benzoimidazole-5-carboxylic acid；1,2-dimethylbenzimidazole-5-carboxylic acid；1,2-Dimethyl-1H-benzoimidazole-5-carboxylic acid
• CAS: 90915-18-7
• 化学式: C₁₀H₁₀N₂O₂
• mdl: MFCD01240945
• 分子量: 190.202
• InChiKey: YEOZQWRDUXNFTF-UHFFFAOYSA-N

物化性质

• 熔点：
  290 °C
• 沸点：
  436.2±18.0 °C(Predicted)
• 密度：
  1.31±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 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
• 海关编码：
  2933990090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 1,2-Dimethylbenzodiazole-5-carboxylic acid
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
P301+P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing

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Section 3. Composition/information on ingredients.
Ingredient name: 1,2-Dimethylbenzodiazole-5-carboxylic acid
CAS number: 90915-18-7

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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.
Storage: Store in closed vessels.

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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
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C10H10N2O2
Molecular weight: 190.2

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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
UN Number: UN2811 Class: 6.1 Packing group: III
Proper shipping name: TOXIC SOLIDS, ORGANIC, N.O.S. (1,2-Dimethylbenzodiazole-5-carboxylic acid)

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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：

  1,2-二甲基-1H-苯并咪唑-5-羧酸 以13.8%的产率得到2-(1,2-Dimethyl-5-benzimidazolyl)-5,6,7,8-tetrahydro-4H-thiazolo[5,4-b]azepine dihydrochloride
  参考文献：
  名称：

  Thiazolo (5,4-B)azepine compounds

  摘要：

  新的噻唑并[5,4-b]螂环化合物由##STR1##所代表，其中R.sup.1是氢原子，可能被取代的脂肪基团，可能被取代的羧酰基团或可能被取代的磺酰基团；R.sup.2是氢原子，可能被取代的芳香基团或可能被取代的脂肪基团，这些化合物能够抑制脂过氧化物的形成。

  公开号：

  US04956360A1
• 作为产物：
  描述：

  3-氨基-4-(甲氨基)苯甲酸 、 原乙酸三乙酯 以 甲醇 为溶剂， 反应 1.0h， 生成 1,2-二甲基-1H-苯并咪唑-5-羧酸
  参考文献：
  名称：

  具有强大的体外抗肿瘤活性的高度修饰的埃坡霉素类似物的全合成。

  摘要：

  通过烯丙基醇17的立体选择性环丙烷化和以二烯22为关键步骤的闭环烯烃复分解，已经实现了高度改性的埃坡霉素类似物1和2的聚合全合成。尽管这些类似物与天然埃博霉素支架之间存在显着的结构差异，但1和2是微管蛋白聚合的有效诱导剂，并在体外以亚nM IC50值抑制人癌细胞的生长。

  DOI：

  10.1021/ol800089x

文献信息

• N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES
  申请人：BRANDL Trixi

  公开号：US20120035168A1

  公开（公告）日：2012-02-09

  The invention relates to compound of the formula I in which the substituents are as defined in the specification; in free form or in salt form; to its preparation, to its use as medicament and to medicaments comprising it.

  本发明涉及具有公式I的化合物，其中取代基如说明书中所定义；以自由形式或盐形式存在；及其制备方法，作为药品的使用，以及包含它的药品。
• Substituted Indoles
  申请人：AbbVie Inc.

  公开号：US20170174688A1

  公开（公告）日：2017-06-22

  The invention provides for compounds of formula (I) wherein R 1 , R 2 , R 3 , R 4 , R 5 , and R 6 have any of the values defined in the specification, and pharmaceutically acceptable salts thereof, that are useful as agents in the treatment of diseases and conditions mediated and modulated by SUV420H1. Also provided are pharmaceutical compositions comprised of one or more compounds of formula (I).

  该发明提供了以下式（I）的化合物 其中R 1 ，R 2 ，R 3 ，R 4 ，R 5 和R 6 具有规范中定义的任何值，以及其药学上可接受的盐，这些化合物在治疗由SUV420H1介导和调节的疾病和症状中作为药剂是有用的。还提供了由一个或多个式（I）化合物组成的药物组合物。
• [EN] INDOLE-DERIVATIVE MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS<br/>[FR] MODULATEURS A BASE DE DERIVES INDOLIQUES DES RECEPTEURS NUCLEAIRES DES HORMONES STEROIDES
  申请人：LILLY CO ELI

  公开号：WO2004067529A1

  公开（公告）日：2004-08-12

  The present invention provides a compound of formula I or a pharmaceutically acceptable salt thereof, pharmaceutical compositions comprising an effective amount of a compound of Formula I in combination with a suitable carrier, diluent, or excipient, and methods for treating physiological disorders, particularly congestive heart disease, comprising administering to a patient in thereof an effective amount of a compound of Formula I.

  本发明提供了一种I式化合物或其药学上可接受的盐，包括I式化合物的有效量与适当载体、稀释剂或赋形剂组合而成的药物组合物，以及治疗生理紊乱的方法，特别是充血性心脏病，包括向患者施用I式化合物的有效量。
• Indole-derivative modulators of steroid hormone nuclear receptors
  申请人：Bell Gregory Michael

  公开号：US20060235222A1

  公开（公告）日：2006-10-19

  The present invention provides a compound of formula I or a pharmaceutically acceptable salt thereof, pharmaceutical compositions comprising an effective amount of a compound of Formula I in combination with a suitable carrier, diluent, or excipient, and methods for treating physiological disorders, particularly congestive heart disease, comprising administering to a patient in thereof an effective amount of a compound of Formula I.

  本发明提供了一种I式化合物或其药学上可接受的盐，包括与适当的载体、稀释剂或赋形剂组合的有效量的I式化合物的药物组成物，以及治疗生理障碍，特别是充血性心脏病的方法，包括向患者施用有效量的I式化合物。
• Spiroketone Acetyl-CoA Carboxylase Inhibitors
  申请人：Corbett Jeffrey Wayne

  公开号：US20090270435A1

  公开（公告）日：2009-10-29

  The invention provides compounds of Formula (1) or a pharmaceutically acceptable salt of said compound, wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 and R 9 are as described herein; pharmaceutical compositions thereof; and the use thereof in treating mammals suffering from the condition of being overweight.

  本发明提供了式（1）的化合物或其药学上可接受的盐，其中R1、R2、R3、R4、R5、R6、R7、R8和R9如本文所述；其药物组成物；以及将其用于治疗患有超重症的哺乳动物。