1-乙酰基-5-硝基-1H-吲唑 | 13436-55-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡唑类
• 中文名称: 1-乙酰基-5-硝基-1H-吲唑
• 中文别名: 1-乙酰基-5-硝基吲唑；1-乙酰基-5-硝基吲唑
• 英文名称: N-acetyl-5-nitroindazole
• 英文别名: 1-acetyl-5-nitroindazole；1-Acetyl-5-nitro-indazol；1-acetyl-5-nitro-1H-indazole；1-Acetyl-5-nitro-1H-indazol；1-(5-nitro-indazol-1-yl)-ethanone；1-(5-Nitro-1H-indazol-1-yl)ethanone；1-(5-nitroindazol-1-yl)ethanone
• CAS: 13436-55-0
• 化学式: C₉H₇N₃O₃
• mdl: MFCD09261292
• 分子量: 205.173
• InChiKey: JWCNYGFAYNMHPZ-UHFFFAOYSA-N

物化性质

• 沸点：
  403.7±37.0 °C(Predicted)
• 密度：
  1.48±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.111
• 拓扑面积：
  80.7
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xi
• 海关编码：
  2933990090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  2-8°C

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 1-Acetyl-5-nitro-1H-indazole
Synonyms: 1-(5-Nitro-1H-indazol-1-yl)ethanone

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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: 1-Acetyl-5-nitro-1H-indazole
CAS number: 13436-55-0

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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: C9H7N3O3
Molecular weight: 205.2

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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
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：

  1-乙酰基-5-硝基-1H-吲唑 在 palladium 10% on activated carbon 氨 、 氢气 作用下， 以 水 为溶剂， 100.0 ℃ 、1.38 MPa 条件下， 反应 24.0h， 生成 4,5,6,7-四氢-1H-吲哚-5-胺二盐酸盐
  参考文献：
  名称：

  CYCLOHEXYLPYRAZOLE-LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1

  摘要：

  本发明公开了具有11β-HSD类型1拮抗活性的Formula (I)的新化合物，以及制备这种化合物的方法。在另一实施例中，该发明公开了包含Formula (I)化合物的药物组合物，以及利用这些化合物和组合物治疗糖尿病、高血糖、肥胖、高血压、高脂血症、代谢综合征以及与11β-HSD类型1活性相关的其他疾病的方法。

  公开号：

  US20090111800A1
• 作为产物：
  描述：

  4-硝基-2-甲苯胺 在 硫酸 、 溶剂黄146 作用下， 生成 1-乙酰基-5-硝基-1H-吲唑
  参考文献：
  名称：

  Noelting, Chemische Berichte, 1904, vol. 37, p. 2583

  摘要：

  DOI：

文献信息

• Cyclohexylpyrazole-lactam derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase 1
  申请人：Eli Lilly and Company

  公开号：US07981918B2

  公开（公告）日：2011-07-19

  The present invention discloses novel compounds of Formula (I): having 11β-HSD type 1 antagonist activity, as well as methods for preparing such compounds. In another embodiment, the invention discloses pharmaceutical compositions comprising compounds of Formula (I), as well as methods of using the compounds and compositions to treat diabetes, hyperglycemia, obesity, hypertension, hyperlipidemia, metabolic syndrome, and other conditions associated with 11β-HSD type 1 activity.

  本发明披露了具有11β-HSD类型1拮抗剂活性的化合物的新型化合物，其化学式为(I)：以及制备这种化合物的方法。在另一种实施方案中，本发明披露了包含化合物(I)的药物组合物，以及使用这些化合物和组合物治疗糖尿病、高血糖、肥胖症、高血压、高脂血症、代谢综合征和其他与11β-HSD类型1活性有关的疾病的方法。
• 一种6-氯-2-甲基-2H-吲哚-5-胺的制备方法
  申请人：浙江科技学院

  公开号：CN114920698A

  公开（公告）日：2022-08-19

  本发明一种6‑氯‑2‑甲基‑2H‑吲唑‑5‑胺的制备方法，步骤为：1）关环反应：乙酸酐催化条件下，于反应溶剂中反应制得式（I）所示的1‑乙酰基‑5‑硝基吲唑；2）甲基化反应：化合物I先后进行水解及甲基化反应，制得式（II）所示的5‑硝基‑2‑甲基‑2H‑吲唑；3）卤代反应：化合物II在催化剂存在的条件下进行氯代反应，制得式（Ⅲ）所示的6‑氯‑5‑硝基‑2‑甲基‑2H‑吲唑；4）还原反应：化合物Ⅲ在催化剂存在的条件下进行还原反应，制得式（Ⅳ）所示的6‑氯‑2‑甲基‑2H‑吲唑‑5‑胺；本发明制备方法简单，成本低廉、容易操作、易于实现，所需原料易得、成本低廉，适合大规模生产。
• v. Auwers; Schwegler, Chemische Berichte, 1920, vol. 53, p. 1213,1216, 1227
  作者：v. Auwers、Schwegler

  DOI：——

  日期：——
• US7981918B2
  申请人：——

  公开号：US7981918B2

  公开（公告）日：2011-07-19
• [EN] CYCLOHEXYLPYRAZOLE-LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1<br/>[FR] DÉRIVÉS DE CYCLOHEXYLPYRAZOLO-LACTAME EN TANT QU'INHIBITEURS DE LA 11-BÊTA-HYDROXYSTÉROÏDE DÉSHYDROGÉNASE 1
  申请人：LILLY CO ELI

  公开号：WO2007124254A2

  公开（公告）日：2007-11-01

  [EN] The present invention discloses novel compounds of Formula I: (I) having 11ß-HSD type 1 antagonist activity, as well as methods for preparing such compounds. In another embodiment, the invention discloses pharmaceutical compositions comprising compounds of Formula I, as well as methods of using the compounds and compositions to treat diabetes, hyperglycemia, obesity, hypertension, hyperlipidemia, metabolic syndrome, and other conditions associated with 11ß-HSD type 1 activity.
  [FR] La présente invention concerne de nouveaux composés de formule I : (I) ayant une activité antagoniste de la 11ß-HSD de type 1, ainsi que des procédés servant à préparer de tels composés. Dans un autre mode de réalisation, l'invention concerne des compositions pharmaceutiques comprenant des composés de formule I, ainsi que des procédés d'utilisation des composés et des compositions pour traiter le diabète, l'hyperglycémie, l'obésité, l'hypertension, l'hyperlipidémie, un syndrome métabolique et d'autres affections associées à l'activité de la 11ß-HSD de type 1.