2-氟-4-(4,4,5,5-四甲基-1,3,2-二氧代硼戊烷-2-基)苯基氨基甲酸叔丁酯 | 262444-42-8

• 物质功能分类: 化学试剂 - 有机试剂 - 硼酸酯
• 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: 2-氟-4-(4,4,5,5-四甲基-1,3,2-二氧代硼戊烷-2-基)苯基氨基甲酸叔丁酯
• 中文别名: 2-氟-4-(4,4,5,5-四甲基-1,3,2-二噁硼烷-2-基)苯基氨基甲酸叔丁酯；4-(叔丁氧羰基氨基)-3-氟苯硼酸频哪醇酯；N-Boc-3-氟-4-氨基苯硼酸频哪醇酯
• 英文名称: tert-butyl N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate
• 英文别名: tert-butyl (2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)carbamate；t-butyl [2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate；Tert-butyl 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)phenylcarbamate
• CAS: 262444-42-8
• 化学式: C₁₇H₂₅BFNO₄
• 分子量: 337.199
• InChiKey: KETIHPKFQXFMTA-UHFFFAOYSA-N

物化性质

• 沸点：
  376.6±37.0 °C(Predicted)
• 密度：
  1.11

计算性质

• 辛醇/水分配系数(LogP)：
  3.47
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  56.8
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 海关编码：
  2934999090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-(BOC-amino)-3-fluorophenyl boronic acid, pinacol ester
Synonyms: t-Butyl 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenylcarbamate

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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: 4-(BOC-amino)-3-fluorophenyl boronic acid, pinacol ester
CAS number: 262444-42-8

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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, refrigerated.
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: C17H25BFNO4
Molecular weight: 337.2

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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, hydrogen fluoride.

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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：

  2-氟-4-(4,4,5,5-四甲基-1,3,2-二氧代硼戊烷-2-基)苯基氨基甲酸叔丁酯 在 盐酸 作用下， 以 1,4-二氧六环 、 DCM 为溶剂， 反应 1.5h， 以51%的产率得到4-氨基-3-氟苯硼酸频那醇酯
  参考文献：
  名称：

  Substituted sulphoximines as Tie2 inhibitors and salts thereof, pharmaceutical compositions comprising the same, methods of preparing the same and uses of the same

  摘要：

  该发明涉及通式（I）所示的取代磺酰羟肟化合物，其中A、E、G、X、R1、R2、R3、R4、R5、R6、R7、R8、m、p、q在权利要求中给出，以及其盐，包括所述取代磺酰羟肟化合物的药物组合物，制备所述取代磺酰羟肟化合物的方法以及将其用于制造用于治疗血管生长失调疾病或伴随血管生长失调的疾病的药物组合物，其中这些化合物有效干扰Tie2信号传导。

  公开号：

  EP1878726A1
• 作为产物：
  描述：

  N-Boc-4-溴-2-氟苯胺 在 正丁基锂 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 2.0h， 生成 2-氟-4-(4,4,5,5-四甲基-1,3,2-二氧代硼戊烷-2-基)苯基氨基甲酸叔丁酯
  参考文献：
  名称：

  WO2007/147574

  摘要：

  公开号：

文献信息

• Pyrazolopyrimidines as therapeutic agents
  申请人：Abbott Laboratories

  公开号：US20020156081A1

  公开（公告）日：2002-10-24

  The present invention provides compounds of Formula I, 1 including pharmaceutically acceptable salts and/or prodrugs thereof, where G, R 2 , and R 3 are defined as described herein.

  本发明提供了公式I的化合物，包括其药学上可接受的盐和/或前药，其中G、R2和R3的定义如本文所述。
• Pyrrolopyrimidines as therapeutic agents
  申请人：——

  公开号：US20030153752A1

  公开（公告）日：2003-08-14

  Chemical compounds having structural formula I 1 and physiologically acceptable salts and metabolites thereof, are inhibitors of serine/threonine and tyrosine kinase activity. Several of the kinases, whose activity is inhibited by these chemical compounds, are involved in immunologic, hyperproliferative, or angiogenic processes. Thus, these chemical compounds can ameliorate disease states where angiogenesis or endothelial cell hyperproliferation is a factor. These compounds can be used to treat cancer and hyper proliferative disorders, rheumatiod arthritis, disorders of the immune system, trasplant refections and imflammatory disorders.

  具有结构式I1的化合物及其生理上可接受的盐和代谢物是丝氨酸/苏氨酸激酶和酪氨酸激酶活性的抑制剂。这些化合物抑制的几种激酶参与免疫、高增殖或血管生成过程。因此，这些化合物可以改善血管生成或内皮细胞过度增殖是因素的疾病状态。这些化合物可用于治疗癌症和高增殖性疾病、类风湿性关节炎、免疫系统疾病、移植排斥和炎症性疾病。
• [EN] SUBSTITUTED 1,6-NAPHTHYRIDINE INHIBITORS OF CDK5<br/>[FR] INHIBITEURS DE CDK5 DE TYPE 1,6-NAPHTYRIDINE SUBSTITUÉE
  申请人：GOLDFINCH BIO INC

  公开号：WO2022011274A1

  公开（公告）日：2022-01-13

  Disclosed are compounds having structural formula I, and related salts and pharmaceutical compositions. Also disclosed are therapeutic methods, e.g., of treating diseases and conditions such as kidney disease, kidney failure, kidney stones, or polycystic kidney disease, using the compounds of formula (I), and related salts and pharmaceutical compositions.

  揭示了具有结构式I的化合物，以及相关的盐和药物组合物。还揭示了治疗方法，例如利用结构式(I)的化合物、相关盐和药物组合物治疗疾病和病况，如肾病、肾衰竭、肾结石或多囊肾病。
• Chemical compounds
  申请人：——

  公开号：US20040198751A1

  公开（公告）日：2004-10-07

  Pyrazolo-pyrimidine derivatives are described herein. The described invention also includes methods of making such derivatives as well as methods of using the same in the treatment of diseases.

  本文介绍了吡唑并[3,4-d]嘧啶衍生物。所述发明还包括制备这种衍生物的方法，以及使用它们治疗疾病的方法。
• SUBSTITUTED PYRAZOLOPYRIMIDINES
  申请人：Adams Jerry Leroy

  公开号：US20090029989A1

  公开（公告）日：2009-01-29

  Pyrazolo-pyrimidine derivatives are described herein. The described invention also includes methods of making such derivatives as well as methods of using the same in the treatment of diseases.

  本文介绍了吡唑并嘧啶衍生物。所述发明还包括制备这些衍生物的方法以及在治疗疾病中使用它们的方法。