4-溴-1-异丙基-1H-吡唑 | 313735-62-5

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 芳基卤化物
• 中文名称: 4-溴-1-异丙基-1H-吡唑
• 中文别名: 4-溴-1-异丙基吡唑；四溴-1-异丙基-1H-吡唑；1-异丙基-4-溴吡唑
• 英文名称: 4-bromo-1-isopropyl-1H-pyrazole
• 英文别名: 4-bromo-1-isopropylpyrazole；4-bromo-1-(propan-2-yl)-1H-pyrazole；4-bromo-1-propan-2-ylpyrazole
• CAS: 313735-62-5
• 化学式: C₆H₉BrN₂
• 分子量: 189.055
• InChiKey: HYWPFIXULAMLRZ-UHFFFAOYSA-N

物化性质

• 沸点：
  213.5±13.0 °C(Predicted)
• 密度：
  1.49±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  17.8
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2933199090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  室温且干燥

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: 4-Bromo-1-isopropyl-1H-pyrazole
Synonyms:

---

Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H302: Harmful if swallowed
H315: Causes skin irritation
H319: Causes serious eye irritation
H335: May cause respiratory irritation
P261: Avoid breathing dust/fume/gas/mist/vapours/spray
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: 4-Bromo-1-isopropyl-1H-pyrazole
CAS number: 313735-62-5

---

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
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.

---

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
No data
Boiling point:
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C6H9BrN2
Molecular weight: 189.1

---

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 bromide.

---

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：

  4-溴-1-异丙基-1H-吡唑 在 正丁基锂 、 二氧化硫 作用下， 以 乙醚 、 正己烷 为溶剂， 反应 1.0h， 以47%的产率得到lithium 1-(propan-2-yl)-1H-pyrazole-4-sulfinate
  参考文献：
  名称：

  [EN] CYCLOPROPYL AMIDE DERIVATIVES
  [FR] DÉRIVÉS D'AMIDE CYCLOPROPYLE

  摘要：

  本发明涉及某些环丙基酰胺化合物，包括这些化合物的药物组合物，以及使用这些化合物和药物组合物治疗白血病和实体肿瘤、炎症性疾病、骨质疏松症、动脉粥样硬化、肠易激综合征和其他疾病和医疗状况的方法。本发明还涉及某些环丙基酰胺化合物用于抑制烟酰胺磷酸核糖转移酶（"NAMPT"）。

  公开号：

  WO2014074715A1
• 作为产物：
  描述：

  4-溴吡唑 、 2-碘代丙烷 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 、 1,4-二氧六环 为溶剂， 反应 0.5h， 生成 4-溴-1-异丙基-1H-吡唑
  参考文献：
  名称：

  [EN] PYRAZOLE OREXIN RECEPTOR ANTAGONISTS
  [FR] COMPOSÉS PYRAZOLES ANTAGONISTES DES RÉCEPTEURS DE L'OREXINE

  摘要：

  本发明涉及一种对促进素受体拮抗剂的吡唑化合物。本发明还涉及这些吡唑化合物在潜在的神经和精神障碍和疾病的治疗或预防中的应用，这些疾病涉及到促进素受体。本发明还涉及包括这些化合物的制药组合物。本发明还涉及这些制药组合物在预防或治疗涉及促进素受体的这些疾病中的应用。

  公开号：

  WO2016065587A1

文献信息

• BENZAZEPINE DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP1186604A1

  公开（公告）日：2002-03-13

  Compounds of the general formula (I): or salts thereof, which exhibit CCR5 antagonism and exert preventive and therapeutic effects against HIV infections: wherein R1 is a 5- to 6-membered aromatic ring which bears a substituent represented by the general formula: R-Z1-X-Z2- (wherein R1 is hydrogen or optionally substituted hydrocarbyl; X is optionally substituted alkylene; and Z1 and Z2 are each a heteroatom) and may be further substituted, with R being optionally bonded to the aromatic ring to form another ring; Y is optionally substituted imino; and R2 and R3 are each optionally substituted aliphatic hydrocarbyl or an optionally substituted hetero-alicyclic group.

  具有一般公式(I)的化合物： 或其盐，具有CCR5拮抗作用，并对HIV感染具有预防和治疗作用：其中R1是一个5至6成员的芳香环，带有一个由一般公式表示的取代基：R-Z1-X-Z2-（其中R1是氢或可选地取代的碳氢基；X是可选地取代的亚烷基；Z1和Z2都是杂原子）并可进一步取代，R可可选地与芳香环结合形成另一个环；Y是可选地取代的亚胺；R2和R3各自是可选地取代的脂肪族碳氢化合物或一个可选地取代的杂环脂肪族基团。
• 2-吡啶取代脲结构小分子化合物及其合成和应用
  申请人：中国科学院上海药物研究所

  公开号：CN110818683B

  公开（公告）日：2023-04-14

  本发明涉及2‑吡啶取代脲结构小分子化合物及其合成和应用。具体地，本发明公开了式(I)所述的化合物，其对映异构体、非对映异构体、外消旋体或其混合物，或其药学上可接受的盐、水合物及溶剂合物及其制备方法和在制备ASK1小分子抑制剂，或预防和/或治疗与ASK1相关疾病，尤其是肝脏疾病、肺部疾病、心血管疾病、肾脏疾病和代谢性疾病的药物中的用途。
• [EN] GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES<br/>[FR] INHIBITEURS DE LA GLUCOSYLCÉRAMIDE SYNTHASE POUR LE TRAITEMENT DE MALADIES
  申请人：BIOMARIN PHARM INC

  公开号：WO2015042397A1

  公开（公告）日：2015-03-26

  Described herein are compounds of Formula I, methods of making such compounds, pharmaceutical compositions and medicaments containing such compounds, and methods of using such compounds to treat or prevent diseases or conditions associated with the enzyme glucosylceramide synthase (GCS).

  本文描述了一种I式化合物，制备这种化合物的方法，含有这种化合物的药物组合物和药物，以及使用这种化合物治疗或预防与葡萄糖酰胺合成酶（GCS）相关的疾病或症状的方法。
• [EN] HETEROCYCLIC AUTOTAXIN INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS HÉTÉROCYCLIQUES D'AUTOTAXINE ET LEURS UTILISATIONS
  申请人：AMIRA PHARMACEUTICALS INC

  公开号：WO2012166415A1

  公开（公告）日：2012-12-06

  Described herein are compounds that are inhibitors of autotaxin. Also described are pharmaceutical compositions and medicaments that include the compounds described herein, as well as methods of using such inhibitors, alone and in combination with other compounds, for treating autotaxin-dependent or autotaxin-mediated conditions or diseases.

  本文描述了一些抑制自动税脂酶的化合物。还描述了包括本文描述的化合物在内的制药组合物和药物，以及使用这些抑制剂的方法，单独或与其他化合物结合，用于治疗依赖于自动税脂酶或由自动税脂酶介导的疾病或病症。
• PROTEIN KINASE INHIBITORS
  申请人：Orion Corporation

  公开号：US20150011548A1

  公开（公告）日：2015-01-08

  A compound of formula (I), wherein R 3 , R 4 , G, B, M, and Z are as defined in the claims, and pharmaceutically acceptable salts thereof are disclosed. The compounds of formula (I) possess utility as FGFR inhibitors and are useful in the treatment of a condition, where FGFR kinase inhibition is desired, such as cancer.

  公式（I）的化合物中，其中R3、R4、G、B、M和Z如权利要求中所定义，并且其药学上可接受的盐已被披露。公式（I）的化合物具有作为FGFR抑制剂的效用，并且在需要FGFR激酶抑制的情况下，如癌症治疗中是有用的。