1-BOC-氨基-4-溴萘 | 168169-11-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 1-BOC-氨基-4-溴萘
• 中文别名: (4-溴萘-1-基)氨基甲酸叔丁酯
• 英文名称: tert-butyl 4-bromonaphthalen-1-ylcarbamate
• 英文别名: tert-Butyl (4-bromonaphthalen-1-yl)carbamate；tert-butyl N-(4-bromonaphthalen-1-yl)carbamate
• CAS: 168169-11-7
• 化学式: C₁₅H₁₆BrNO₂
• 分子量: 322.202
• InChiKey: HAJAGHHFQDXDEY-UHFFFAOYSA-N

物化性质

• 熔点：
  129-133
• 沸点：
  375.9±25.0 °C(Predicted)
• 密度：
  1.408±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2924299090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 1-Boc-Amino-4-bromonaphthalene
Synonyms: tert-Butyl 4-bromonaphthalen-1-ylcarbamate

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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-Boc-Amino-4-bromonaphthalene
CAS number: 168169-11-7

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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: C15H16BrNO2
Molecular weight: 322.2

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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 bromide.

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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-BOC-氨基-4-溴萘 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 四(三苯基膦)钯 、 三(2-呋喃基)膦 、 norbornene 、 potassium acetate 、 palladium diacetate 、 sodium carbonate 、 caesium carbonate 作用下， 以 1,4-二氧六环 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 10.0h， 生成 C₃₉H₃₆N₂O₄S
  参考文献：
  名称：

  钯/降冰片烯催化的CH活化/芳烃脱芳香化反应对螺[4,5]癸烷嵌入的多环支架的高度化学选择性构建

  摘要：

  通过钯/降冰片烯催化已成功开发了基于酚的联芳基与溴代烷基炔烃的高度化学选择性的分子间环化反应。该多米诺过程是通过级联执行Catellani型C–H功能化，炔烃迁移插入和芳烃脱芳构作用完成的，从而导致大量螺环[4,5]癸烷包埋的多环分子具有中等程度的各种官能团达到优异的产量。

  DOI：

  10.1021/acs.orglett.8b03518
• 作为产物：
  描述：

  二碳酸二叔丁酯 、 4-溴-1-萘胺 以 甲苯 为溶剂， 反应 24.0h， 以90%的产率得到1-BOC-氨基-4-溴萘
  参考文献：
  名称：

  Pd(0)/降冰片烯催化三重多米诺反应和Pd(II)催化三羟基化全合成Dalesconol A

  摘要：

  在此，我们描述了一种通过“多环化/氧化”方法简明地全合成 dalesconol A。在多环化阶段，Pd(0)/NBE 催化的 3 倍多米诺反应和随后的分子内迈克尔加成已用于七环分子骨架的一步组装。在氧化态调整的后期，采用位点选择性苄基氧化、Pd(II)催化的肟醚定向三羟基化和去饱和的逐步序列引入氧官能团，并提供了dalesconol A的合成。利用一步一步完成三个C-H键的后期酰胺化的优点，还高效地获得了dalesconol A的氨基类似物。

  DOI：

  10.1021/jacs.1c12118
• 作为试剂：
  描述：

  氨基甲酸叔丁酯 、 1-hexenylboronic acid 、 Dicaesio carbonate 、 、 在 四氧化锇 1-BOC-氨基-4-溴萘 、 氮气 、 水 、 乙酸乙酯 、 Sodium sulfate-III 、 silica gel 、 hexanes 作用下， 以 1,4-二氧六环 、 叔丁醇 、 乙酸乙酯 、 水 为溶剂， 反应 48.25h， 以to give (4-formyl-naphthalen-1-yl)-carbamic acid tert-butyl ester as a light brown solid (923 mg)的产率得到tert-butyl 4-formylnaphthalen-1-ylcarbamate
  参考文献：
  名称：

  1,4-disubstituted naphthalenes as inhibitors of P38 MAP kinase

  摘要：

  公开了式子为(I)的1,4二取代萘的化合物。这些化合物可能在治疗细胞增殖性疾病方面有用。

  公开号：

  US07829560B2

文献信息

• INHIBITORS OF HEMOPOIETIC CELL KINASE (P59-HCK) AND THEIR USE IN THE TREATMENT OF INFLUENZA INFECTION
  申请人：Charron Catherine Elisabeth

  公开号：US20120244120A1

  公开（公告）日：2012-09-27

  The present invention relates inter alia to the treatment or prevention of influenza virus infection (including subtypes influenza A virus, influenza B virus, avian strain H5N1, A/H1N1, H3N2 and/or pandemic influenza) using compounds which inhibit the activity of p59-HCK and to a method of screening for a candidate drug substance intended to prevent or treat influenza virus infection in a subject, said method comprising identifying a test substance capable of inhibiting p59-HCK activity.

  本发明涉及治疗或预防流感病毒感染（包括亚型流感A病毒、流感B病毒、禽流感H5N1、A/H1N1、H3N2和/或大流行性流感）的化合物，这些化合物抑制p59-HCK的活性，并涉及一种筛选候选药物物质的方法，该方法旨在预防或治疗受试者的流感病毒感染，所述方法包括识别能够抑制p59-HCK活性的试验物质。
• Palladium(0)-Catalyzed Intermolecular Carbocyclization of (1,<i>n</i>)-Diynes and Bromophenols: An Efficient Route to Tricyclic Scaffolds
  作者：Lu Bai、Yini Yuan、Jingjing Liu、Jiaoyu Wu、Lingbo Han、Hui Wang、Yaoyu Wang、Xinjun Luan

  DOI：10.1002/anie.201601570

  日期：2016.6.6

  A novel palladium(0)‐catalyzed dearomative cyclization reaction of bromophenols with (1,n)‐diynes has been developed for building two new types of tricyclic architectures containing a quaternary carbon center. This method employs inexpensive bromophenols, and easily accessible tethered diynes. It exhibits a broad substrate scope and tolerates various functional groups. Preliminary results with commercially

  已开发出一种新颖的钯（0）催化的溴酚与（1，n）-二炔的脱芳香环化反应，用于构建两种新型的含季碳中心的三环结构。该方法使用廉价的溴酚和易于获得的束缚二炔。它具有广泛的底物范围，并能耐受各种官能团。商业上可获得的手性配体的初步结果表明，对映选择性变体对于两种环化过程都是可行的。
• Inhibitors of Hemopoietic Cell Kinase (P59-HCK) and Their Use in the Treatment of Influenza Infection
  申请人：RESPIVERT LIMITED

  公开号：US20160045512A1

  公开（公告）日：2016-02-18

  The present invention relates inter alia to the treatment or prevention of influenza virus infection (including subtypes influenza A virus, influenza B virus, avian strain H5N1, A/H1N1, H3N2 and/or pandemic influenza) using compounds which inhibit the activity of p59-HCK and to a method of screening for a candidate drug substance intended to prevent or treat influenza virus infection in a subject, said method comprising identifying a test substance capable of inhibiting p59-HCK activity.

  本发明涉及治疗或预防流感病毒感染（包括亚型流感A病毒、流感B病毒、禽流感H5N1、A/H1N1、H3N2和/或大流行性流感）的化合物，这些化合物抑制p59-HCK的活性，并涉及一种筛选候选药物物质的方法，该方法旨在预防或治疗受试者的流感病毒感染，所述方法包括识别能够抑制p59-HCK活性的试验物质。
• 1,4-Disubstituted benzo-fused compounds
  申请人：——

  公开号：US20030083333A1

  公开（公告）日：2003-05-01

  Disclosed are novel 1,4-disubstituted benzo-fused compounds wherein G, X, L, Q, n and Y are defined herein. The compounds are useful in pharmaceutic compositions for treating diseases or pathological conditions involving inflammation such as chronic inflammatory diseases. Also disclosed are processes of making such compounds. 1

  揭示了一种新型的1,4-二取代苯并化合物，其中G、X、L、Q、n和Y在此定义。这些化合物在制备用于治疗涉及炎症的疾病或病理状况的药物组合物中很有用，如慢性炎症性疾病。还公开了制备这些化合物的方法。
• [EN] P38 MAP KINASE INHIBITORS<br/>[FR] INHIBITEURS DE LA MAP KINASE P38
  申请人：RESPIVERT LTD

  公开号：WO2011124930A1

  公开（公告）日：2011-10-13

  There is provided a compound of formula (I): wherein: J represents (A): or (B): compositions comprising same, processes for preparing said compounds and use thereof in treatment, particularly in the treatment of inflammatory disease, such as asthma, COPD and 15 rheumatoid arthritis.

  提供了一个化合物的公式（I）：其中：J代表（A）：或（B）：包括相同的组合物，制备该化合物的方法以及在治疗中的用途，特别是在治疗炎症性疾病，如哮喘、慢性阻塞性肺疾病和类风湿关节炎方面的用途。