N-叔丁氧羰基-7-溴吲哚啉 | 143262-17-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 中文名称: N-叔丁氧羰基-7-溴吲哚啉
• 中文别名: N-Boc-7-溴吲哚啉；N-BOC-7-溴吲哚啉
• 英文名称: tert-butyl 7-bromoindoline-1-carboxylate
• 英文别名: 7-bromo-1-(tert-butylcarbonyl)indoline；tert-butyl 7-bromo-2,3-dihydroindole-1-carboxylate
• CAS: 143262-17-3
• 化学式: C₁₃H₁₆BrNO₂
• 分子量: 298.18
• InChiKey: LHLSVTIQYUAATK-UHFFFAOYSA-N

物化性质

• 沸点：
  349.9±41.0 °C(Predicted)
• 密度：
  1.400±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2933990090
• 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: Boc-7-bromoindoline
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: Boc-7-bromoindoline
CAS number: 143262-17-3

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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: C13H16BrNO2
Molecular weight: 298.2

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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：

  N-叔丁氧羰基-7-溴吲哚啉 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 以95%的产率得到7-溴二氢吲哚
  参考文献：
  名称：

  A total synthesis of the pyrrolophenthridone alkaloid oxoassoanine

  摘要：

  Coupling of the Grignard derived from N-Benzyl-7-bromoindoline with an aryl oxazoline leads to the title compound in good yield (Scheme 3). This methodology provides a versatile route to the Pyrrolophenthridone class of alkaloids.

  DOI：

  10.1016/s0040-4039(00)73705-1
• 作为产物：
  描述：

  1-Boc-吲哚啉 在 四甲基乙二胺 、 仲丁基锂 、 1,2-二溴乙烷 作用下， 生成 N-叔丁氧羰基-7-溴吲哚啉
  参考文献：
  名称：

  Directed Lithiation of 1-(tert-Butoxycarbonyl)indolines. A Convenient Route to 7-Substituted Indolines

  摘要：

  1-(tert-Butoxycarbonyl)indolines were regioselectively lithiated at 7-position with s-BuLi-TMEDA in ether or TBF at -78-degrees-C. The lithiated species were reacted with a range of electrophiles to give 7-substituted indoline derivatives.

  DOI：

  10.3987/com-92-5993

文献信息

• [EN] MK2 INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS MK2 ET UTILISATIONS ASSOCIÉES
  申请人：CELGENE AVILOMICS RES INC

  公开号：WO2014149164A1

  公开（公告）日：2014-09-25

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

  本发明提供了化合物、其组合物以及使用方法。
• MK2 INHIBITORS AND USES THEREOF
  申请人：CELGENE AVILOMICS RESEARCH, INC.

  公开号：US20150376208A1

  公开（公告）日：2015-12-31

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

  本发明提供化合物，其组成物和使用方法。
• MK2 inhibitors and uses thereof
  申请人：Celgene CAR LLC

  公开号：US10138256B2

  公开（公告）日：2018-11-27

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

  本发明提供了化合物、其组合物以及使用方法。
• Directed Lithiation of 1-(tert-Butoxycarbonyl)indolines. A Convenient Route to 7-Substituted Indolines
  作者：Masatomo Iwao、Tsukasa Kuraishi

  DOI：10.3987/com-92-5993

  日期：——

  1-(tert-Butoxycarbonyl)indolines were regioselectively lithiated at 7-position with s-BuLi-TMEDA in ether or TBF at -78-degrees-C. The lithiated species were reacted with a range of electrophiles to give 7-substituted indoline derivatives.
• A total synthesis of the pyrrolophenthridone alkaloid oxoassoanine
  作者：A.I. Meyers、R.H. Hutchings

  DOI：10.1016/s0040-4039(00)73705-1

  日期：1993.9

  Coupling of the Grignard derived from N-Benzyl-7-bromoindoline with an aryl oxazoline leads to the title compound in good yield (Scheme 3). This methodology provides a versatile route to the Pyrrolophenthridone class of alkaloids.