7-氯吲唑 | 37435-12-4

• 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: 7-氯吲唑
• 中文别名: 7-氯-1H-吲唑；7-氯吲哚
• 英文名称: 7-chloro-1H-indazole
• 英文别名: 7-Chlor-1H-indazol；5-chloroindazole；7-chloroindazole；7-Chlorindazol；CT15；7-chloro-1(2)H-indazole
• CAS: 37435-12-4
• 化学式: C₇H₅ClN₂
• mdl: MFCD07368214
• 分子量: 152.583
• InChiKey: WIYOYUQVNPTVQG-UHFFFAOYSA-N

物化性质

• 熔点：
  135-137
• 沸点：
  309.5±15.0 °C(Predicted)
• 密度：
  1.425±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  28.7
• 氢给体数：
  1
• 氢受体数：
  1

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：
  P280,P305+P351+P338,P310
• 危险性描述：
  H302,H315,H319,H332,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 7-Chloro-1H-indazole
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: 7-Chloro-1H-indazole
CAS number: 37435-12-4

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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: C7H5ClN2
Molecular weight: 152.6

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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, hydrogen chloride.

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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

制备方法与用途

简介

7-氯吲唑是一种医药中间体，可通过3-氯-2-羟基苯甲醛与过量盐酸肼反应环合制得。有文献报道其可用于制备SYK抑制剂。

制备

在250 mL烧瓶中，将3-氯-2-羟基苯甲醛（36.7 mmol）溶解于乙醇（30 mL）中，然后加入过量的盐酸肼。回流反应液3小时后，在减压下蒸馏掉溶剂。通过硅胶柱色谱法（EtOAc∶PE = 10∶1）纯化残余物，最终得到7-氯吲唑。

反应信息

• 作为反应物：
  描述：

  7-氯吲唑 在 硝酸 、 乙酸酐 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 生成 7-氯-3-硝基吲唑
  参考文献：
  名称：

  Majewska; Wrzeciono, Pharmazie, 1992, vol. 47, # 9, p. 688 - 691

  摘要：

  DOI：
• 作为产物：
  描述：

  3-氯-2-氟苯甲醛 在 一水合肼 作用下， 以 四氢呋喃 为溶剂， 反应 6.0h， 生成 7-氯吲唑
  参考文献：
  名称：

  新型 6-吲吲唑基-2-吡啶甲酸的设计、合成及除草活性研究

  摘要：

  通过支架跳跃设计并合成了 38 种新的 4-氨基-3,5-二吾-6-（1H-吲哚唑基）-2-吡啶酰酸和 4-氨基-3,5-二吾酰-6-（2H-吲哚唑基）-2-吆啶酰酸，以发现潜在的除草分子。对所有新化合物进行测试，以确定它们对拟南芥和五种杂草根系生长的抑制活性。总体而言，合成的化合物表现出优异的抑制性能，对杂草根系生长表现出良好的抑制作用。特别是，化合物 5a 在 10 μM 浓度的甘蓝型油菜和 Abutilon theophrasti Medicus 中显示出显著高于 picloram 的根抑制活性。大多数化合物在 250 g/hm2 时对反枝苋和藜苣表现出 100% 的苗后除草效果。我们还发现，6-吲哚唑基-2-吡啶甲酸可诱导生长素基因 ACS7 和 NCED3 的上调，而生长素内流、外排和生长素响应因子下调，表明 6-吲哚唑基-2-吡啶甲酸促进乙烯释放和 ABA 产生，在短时间内导致植株死亡，这与其他吡啶甲酸的模式不同。

  DOI：

  10.3390/molecules29020332

文献信息

• [EN] INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS<br/>[FR] COMPOSÉS INDOLIQUES UTILES EN TANT QUE MODULATEURS DU RÉCEPTEUR DES ANDROGÈNES
  申请人：NIDO BIOSCIENCES INC

  公开号：WO2022020342A1

  公开（公告）日：2022-01-27

  Provided herein are compounds of formula (V) that bind to BF3 of an androgen receptor (AR), which can modulate the AR for the treatment of Kennedy's disease.

  本文提供了一种公式（V）的化合物，它们与雄激素受体（AR）的BF3结合，可以调节AR以治疗肯尼迪病。
• GLUCAGON RECEPTOR MODULATORS
  申请人：Aspnes Gary Erik

  公开号：US20120202834A1

  公开（公告）日：2012-08-09

  The present invention provides a compound of Formula (I) or a pharmaceutically acceptable salt thereof wherein R 1 , R 2 , R 3 , A 1 , A 2 , A 3 , A 4 , L, B 1 , B 2 , B 3 and B 4 are as defined herein. The compounds of Formula I have been found to act as glucagon antagonists or inverse agonists. Consequently, the compounds of Formula I and the pharmaceutical compositions thereof are useful for the treatment of diseases, disorders, or conditions mediated by glucagon.

  本发明提供了一种式（I）的化合物或其药学上可接受的盐，其中R1、R2、R3、A1、A2、A3、A4、L、B1、B2、B3和B4如本文所定义。已发现式I的化合物可作为葡萄糖胰高血糖素拮抗剂或逆向激动剂。因此，式I的化合物及其药物组成物对于治疗由葡萄糖胰高血糖素介导的疾病、紊乱或症状是有用的。
• 유기 발광 화합물 및 이를 이용한 유기 발광 소자
  申请人：Skin n Skin Co., Ltd. 주식회사 스킨앤스킨(120070435418) Corp. No ▼ 131111-0165843BRN ▼129-81-98293

  公开号：KR101574710B1

  公开（公告）日：2015-12-07

  본 발명은 유기 발광 화합물 및 이를 이용한 유기 발광 소자에 관한 것으로서, 보다 상세하게는 우수한 발광효율, 발광 휘도, 발광 수명을 구현할 수 있는 유기 발광 소자와 이에 이용되는 유기 발광 화합물 또는 태양광 발전용 광소자 및 이에 사용되는 광화합물에 관한 것으로, 특히 인다졸(indazole)계 화합물 및 이를 이용한 유기 광소자를 개발하여 제1전극과 상기 제2전극 사이의 각종 유기막 예컨대 전자수송층(ETM), 발광층(EML), 정공수송층(HTM), 정공주입층(HIL) 등에 다각적으로 쓰일 수 있는 물질을 개발하고, 효율 증가와 구동 전압의 감소와 같은 성능의 개선 및 OLED 재료로서의 능력을 극대화시킬 수 있다.

  本发明涉及有机发光化合物及其用于有机发光器件，更详细地说，涉及可实现优异的发光效率、发光亮度和发光寿命的有机发光器件以及用于其的有机发光化合物或太阳能光伏器件以及用于其的光化合物，特别是开发了以吲哚啉为基础的化合物和基于其的有机光伏器件，通过开发可广泛用于第一电极和第二电极之间的各种有机膜，如电子传输层(ETM)、发光层(EML)、正空穿输层(HTM)、正空注入层(HIL)等的物质，并且能够提高效率、降低驱动电压等性能改进，最大程度地发挥作为OLED材料的能力。
• [EN] PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATMENT, AMELIORATION OR PREVENTION OF INFLUENZA<br/>[FR] DÉRIVÉS DE PYRIDINE ET DE PYRIMIDINE ET LEUR UTILISATION DANS LE TRAITEMENT, L'ATTÉNUATION DES SYMPTÔMES OU LA PRÉVENTION DE LA GRIPPE
  申请人：SAVIRA PHARMACEUTICALS GMBH

  公开号：WO2017133670A1

  公开（公告）日：2017-08-10

  Provided herein is a compound of formula (I), optionally in the form of a pharmaceutically acceptable salt, solvate, polymorph, prodrug, codrug, cocrystal, tautomer, racemate, enantiomer,or diastereomer or mixture thereof, which is useful in treating, ameliorating or preventing influenza.

  本文提供的是一种化合物，其化学式为(I)，可选地为药学上可接受的盐、溶剂合物、多晶形态、前药、共药、共晶、互变异构体、外消旋体、对映体或其混合物形式，可用于治疗、改善或预防流感。
• Pyrazolo pyrimidines useful as aurora kinase inhibitors
  申请人：Oslob D. Johan

  公开号：US20070027166A1

  公开（公告）日：2007-02-01

  The present invention provides compounds having the formula: wherein A-B together represent one of the following structures: wherein one of is a double bond, as valency permits; and R 2 , R 4 , X 1A , X 2A , X 1B , X 2B , L 1 , L 2 , Y and Z are as defined in classes and subclasses herein, and pharmaceutical compositions thereof, as described generally and in subclasses herein, which compounds are useful as inhibitors of protein kinase (e.g., Aurora), and thus are useful, for example, for the treatment of Aurora mediated diseases.

  本发明提供具有以下结构的化合物：其中A-B一起代表以下结构之一：其中之一是双键，根据价性而定；而R2、R4、X1A、X2A、X1B、X2B、L1、L2、Y和Z如此处所定义，以及其制药组合物，如此处总体描述和所述的亚类，这些化合物可用作蛋白激酶（例如Aurora）的抑制剂，因此可用于例如治疗由Aurora介导的疾病。