1-(4-溴苯基磺酰)吖丁啶 | 530081-57-3

• 物质功能分类: 原料药 - 人工合成抗感染类药 - 磺胺类药及增效剂
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-(4-溴苯基磺酰)吖丁啶
• 中文别名: 1-(4-溴苯基磺酰基)氮杂丁烷
• 英文名称: 1-((4-bromophenyl)sulfonyl)azetidine
• 英文别名: 1-(4-bromobenzenesulfonyl)azetidine；1-(4-bromo-benzenesulfonyl)-azetidine；1-[(4-bromophenyl)sulfonyl]azetidine；1-(4-bromophenyl)sulfonylazetidine
• CAS: 530081-57-3
• 化学式: C₉H₁₀BrNO₂S
• mdl: MFCD07363814
• 分子量: 276.154
• InChiKey: MDIDQNAFUFFXTB-UHFFFAOYSA-N

物化性质

• 熔点：
  118-120

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  45.8
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 海关编码：
  2935009090
• 危险性防范说明：
  P261,P264,P270,P271,P280,P301+P312,P302+P352,P304+P340,P330,P363,P501
• 危险性描述：
  H302,H312,H332

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: 1-(4-Bromophenylsulfonyl)azetidine
Synonyms:

---

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

---

Section 3. Composition/information on ingredients.
Ingredient name: 1-(4-Bromophenylsulfonyl)azetidine
CAS number: 530081-57-3

---

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.
Store in closed vessels.
Storage:

---

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
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C9H10BrNO2S
Molecular weight: 276.2

---

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, sulfur oxides.

---

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：

  1-(4-溴苯基磺酰)吖丁啶 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 甲烷磺酸(2-二环己基膦基-2',4',6'-三-异丙基-1,1'-联苯基)(2'-氨基-1,1'-联苯-2-基)钯(II) 、 potassium acetate 、 sodium carbonate 作用下， 以 1,4-二氧六环 、 N,N-二甲基甲酰胺 为溶剂， 反应 30.0h， 生成 C₂₉H₃₅FN₄O₆S
  参考文献：
  名称：

  一种组织蛋白酶C小分子抑制剂

  摘要：

  本公开涉及一种组织蛋白酶C小分子抑制剂。具体而言，本公开提供了一种式IV所示的酰胺腈类化合物，这些化合物具有一定的组织蛋白酶C的抑制作用。

  公开号：

  CN114591315A
• 作为产物：
  描述：

  杂氮环丁烷 、 4-溴苯磺酰氯 在 二氯甲烷 、 水 作用下， 以 二氯甲烷 、 potassium carbonate 为溶剂， 反应 17.0h， 以to yield 15.22 g of the title compound as a colorless, amorphous solid of m.p. 145° C的产率得到1-(4-溴苯基磺酰)吖丁啶
  参考文献：
  名称：

  Imidazopyridine derivatives useful as iNOS inhibitors

  摘要：

  公式为（I）的化合物，其中R1，R11和A的含义如描述中所给，是新颖的有效iNOS抑制剂。

  公开号：

  US07790710B2
• 作为试剂：
  描述：

  杂氮环丁烷 、 4-溴苯磺酰氯 在 1-(4-溴苯基磺酰)吖丁啶 作用下， 以to give the title compound (315 mg, 93%)的产率得到1-(4-溴苯基磺酰)吖丁啶
  参考文献：
  名称：

  Pyrimidine Derivatives and Their Use in Therapy as well as the Use of Pyrimidine Derivatives in the Manufacture of a Medicament for Prevention and/or Treatment of Alzheimer's Disease

  摘要：

  该专利涉及式I的化合物，其中R1，R2，R3，R4，R5，R6，R7，R8和R9如规范中所定义，作为基础物质或药物可接受的盐，溶剂或其盐的溶剂，以及制备它们的方法，其中使用了新的中间体，含有所述化合物的制药配方以及在治疗中使用所述化合物的用途。

  公开号：

  US20090105252A1

文献信息

• [EN] TRPML MODULATORS<br/>[FR] MODULATEURS DE TRPML
  申请人：CASMA THERAPEUTICS INC

  公开号：WO2021127337A1

  公开（公告）日：2021-06-24

  The present invention provides compounds, pharmaceutically acceptable compositions thereof, and methods of using the same.

  本发明提供了化合物、药学上可接受的组合物以及使用这些化合物的方法。
• [EN] ACYCLIC CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS<br/>[FR] CYANOÉTHYLPYRAZOLO PYRIDONES ACYCLIQUES EN TANT QU'INHIBITEURS DE JANUS KINASE
  申请人：MERCK SHARP & DOHME

  公开号：WO2014146493A1

  公开（公告）日：2014-09-25

  The instant invention provides compounds of formula I which are JAK inhibitors, and as such are useful for the treatment of JAK-mediated diseases such as rheumatoid arthritis, asthma, COPD and cancer.

  这项即时发明提供了化合物I的公式，这些化合物是JAK抑制剂，因此对于治疗JAK介导的疾病如类风湿关节炎、哮喘、慢性阻塞性肺病和癌症是有用的。
• [EN] NOVEL COMPOUNDS<br/>[FR] NOUVEAUX COMPOSES
  申请人：ASTRAZENECA AB

  公开号：WO2004089885A1

  公开（公告）日：2004-10-21

  The invention relates to substituted phenoxyacetic acids (I) as useful pharmaceutical compounds for treating respiratory disorders, pharmaceutical compositions containing them, and processes for their preparation.

  这项发明涉及取代苯氧乙酸(I)作为治疗呼吸系统疾病的有用药物化合物，包含它们的药物组合物，以及它们的制备方法。
• [EN] GEMINALLY SUBSTITUTED CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS<br/>[FR] CYANOÉTHYLPYRAZOLOPYRIDONES À SUBSTITUTION GÉMINALE UTILISÉES COMME INHIBITEURS DE LA JANUS KINASE
  申请人：MERCK SHARP & DOHME

  公开号：WO2014146491A1

  公开（公告）日：2014-09-25

  The instant invention provides compounds of Formula (I) which are JAK inhibitors, and as such are useful for the treatment of JAK-mediated diseases such as rheumatoid arthritis, asthma, COPD and cancer.

  这项即时发明提供了Formula (I)的化合物，这些化合物是JAK抑制剂，因此可用于治疗JAK介导的疾病，如类风湿关节炎、哮喘、慢性阻塞性肺病和癌症。
• [EN] N-(2-CYANO HETEROCYCLYL)PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS<br/>[FR] N-(2-CYANO-HÉTÉROCYCLYL)PYRAZOLO-PYRIDONES EN TANT QU'INHIBITEURS DE LA JANUS KINASE
  申请人：MERCK SHARP & DOHME

  公开号：WO2014146492A1

  公开（公告）日：2014-09-25

  Provided are compounds of Formula I, a JAK inhibitor, and use thereof for the treatment of JAK-mediated diseases by the application.

  提供了公式I的化合物，一种JAK抑制剂，以及其在治疗JAK介导疾病中的应用。