1’-BOC-1,2-二氢-2-氧代-螺[3H-吲哚-3,4’-哌啶] | 252882-60-3

• 物质功能分类: 医药中间体 - 杂环化合物
• 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: 1’-BOC-1,2-二氢-2-氧代-螺[3H-吲哚-3,4’-哌啶]
• 中文别名: 1'-BOC-1,2-二氢-2-氧代-螺[3H-吲哚-3,4'-哌啶]
• 英文名称: tert-butyl 2-oxospiro[indoline-3,4'-piperidine]-1'-carboxylate
• 英文别名: 1'-Boc-1,2-dihydro-2-oxo-spiro[3H-indole-3,4'-piperidine]；tert-butyl 2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxylate
• CAS: 252882-60-3
• 化学式: C₁₇H₂₂N₂O₃
• 分子量: 302.373
• InChiKey: YEJCWMVHDBKPBN-UHFFFAOYSA-N

物化性质

• 沸点：
  475.6±45.0 °C(Predicted)
• 密度：
  1.22±0.1 g/cm3 (20 ºC 760 Torr)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  58.6
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933399090
• 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: 1’-Boc-1,2-dihydro-2-oxo-spiro[3h-indole-3,4’-piperidine]
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: 1’-Boc-1,2-dihydro-2-oxo-spiro[3h-indole-3,4’-piperidine]
CAS number: 252882-60-3

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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: C17H22N2O3
Molecular weight: 302.4

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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.

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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-1,2-二氢-2-氧代-螺[3H-吲哚-3,4’-哌啶] 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 反应 1.0h， 生成 螺[吲哚啉-3,4-哌啶]-2-酮
  参考文献：
  名称：

  WO2008/144266

  摘要：

  公开号：
• 作为产物：
  描述：

  tert-butyl 1-benzyl-1,2-dihydro-2-oxospiro[3H-indole-3,4'-piperidine]-1'-carboxylate 在 氨 、 sodium 作用下， 以 四氢呋喃 为溶剂， 以81%的产率得到1’-BOC-1,2-二氢-2-氧代-螺[3H-吲哚-3,4’-哌啶]
  参考文献：
  名称：

  [EN] PYRIDYL PIPERIDINES
  [FR] PYRIDYL-PIPÉRIDINES

  摘要：

  公开号：

  WO2015144290A8

文献信息

• [EN] RSV ANTIVIRAL COMPOUNDS<br/>[FR] COMPOSÉS ANTIVIRAUX CONTRE LE VRS
  申请人：JANSSEN R & D IRELAND

  公开号：WO2014060411A1

  公开（公告）日：2014-04-24

  Inhibitors of RSV replication of formula RI including stereochemically isomeric forms, and salts or solvates thereof, wherein R22, W, Q, V, Z p,s,and Het have the meaning as defined herein. The present invention also relates to processes for preparing said compounds, pharmaceutical compositions containing them and their use, alone or in combination with other RSV inhibitors, in RSV therapy.

  RSV复制抑制剂的公式RI包括立体化学同分异构体形式，以及其盐或溶剂合物，其中R22、W、Q、V、Z、p、s和Het的含义如本文所定义。本发明还涉及制备所述化合物的方法，含有它们的药物组合物以及它们在RSV治疗中单独或与其他RSV抑制剂结合使用的用途。
• CGRP receptor antagonists
  申请人：Gutierrez Corey

  公开号：US20080004261A1

  公开（公告）日：2008-01-03

  The present invention relates to CGRP receptor antagonists, pharmaceutical compositions thereof, and methods therewith for treating CGRP receptor-mediated diseases and conditions.

  本发明涉及CGRP受体拮抗剂，其药物组成物，以及用于治疗CGRP受体介导的疾病和症状的方法。
• [EN] SPIRO COMPOUNDS AS GLYCOSIDASE INHIBITORS<br/>[FR] COMPOSÉS SPIRO UTILISÉS EN TANT QU'INHIBITEURS DE GLYCOSIDASES
  申请人：ASCENEURON S A

  公开号：WO2020039029A1

  公开（公告）日：2020-02-27

  Compounds of formula (I) wherein A, R, L, Z, Q1, Q2 and n have the meaning according to the claims can be employed, inter alia, for the treatment of tauopathies and Alzheimer's disease.

  式（I）中A、R、L、Z、Q1、Q2和n的含义如权利要求所述，可用于治疗tau病和阿尔茨海默病。
• SPIROINDOLINES AS MODULATORS OF CHEMOKINE RECEPTORS
  申请人：Eidam Hilary Schenck

  公开号：US20080318990A1

  公开（公告）日：2008-12-25

  The present invention relates to a compound of the following formula: where R 1 -R 6 , R 10 , Y, n, m, p, and q are as defined herein. Compounds and compositions of the present invention are useful for the treatment of diseases associated with the overexpression of CCR2.

  本发明涉及以下式的化合物：其中R1-R6、R10、Y、n、m、p和q如本文所定义。本发明的化合物和组合物对于治疗与CCR2过度表达相关的疾病是有用的。
• [EN] SPIROHETEROCYCLIC DERIVATIVES AS CRHR2 ANTAGONIST<br/>[FR] DÉRIVÉS SPIROHÉTÉROCYCLIQUES UTILISÉS COMME ANTAGONISTES DE CRHR2
  申请人：RAQUALIA PHARMA INC

  公开号：WO2021145401A1

  公开（公告）日：2021-07-22

  The present invention relates to spiroheterocyclic derivatives which have antagonistic activities against CRHR2, and which are useful in the treatment or prevention of disorders and diseases in which CRHR2 is involved. The invention also relates to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which CRHR2 is involved.

  本发明涉及对CRHR2具有拮抗活性的螺环杂环衍生物，用于治疗或预防涉及CRHR2的疾病和疾病。该发明还涉及包含这些化合物的药物组合物以及在预防或治疗涉及CRHR2的疾病中使用这些化合物和组合物。