1-(3-氨基丙基)-2-吡咯烷酮 | 7663-77-6

• 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 - 吡咯烷类
• 中文名称: 1-(3-氨基丙基)-2-吡咯烷酮
• 中文别名: N-(3-氨基丙基)-2-吡咯烷酮；N-(3'-氨丙基)-2-吡咯烷酮；N-(3'-丙胺基)-2-吡咯烷酮；1-(3-氨丙基)-2-吡咯烷酮；N-(3-丙胺基)-2-吡咯烷酮；N-(3-氨丙基)-2-吡咯烷酮
• 英文名称: 1-(3-aminopropyl)-2-pyrrolidone
• 英文别名: 1-(3-AMINOPROPYL)-2-PYRROLIDINONE；1-(3-aminopropyl)pyrrolidin-2-one；N-(3-aminopropyl)-2-pyrrolidinone
• CAS: 7663-77-6
• 化学式: C₇H₁₄N₂O
• mdl: MFCD00003201
• 分子量: 142.201
• InChiKey: HJORCZCMNWLHMB-UHFFFAOYSA-N

物化性质

• 沸点：
  120-123 °C1 mm Hg(lit.)
• 密度：
  1.014 g/mL at 25 °C(lit.)
• 闪点：
  >230 °F
• 溶解度：
  可溶于氯仿（少许）、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.857
• 拓扑面积：
  46.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xi,C
• 安全说明：
  S26,S27,S36/37/39,S45
• 危险类别码：
  R34
• WGK Germany：
  3
• RTECS号：
  UY5739500
• 海关编码：
  2933790090
• 危险标志：
  GHS05
• 危险品运输编号：
  UN 3267 8/PG 2
• 危险性描述：
  H314
• 危险性防范说明：
  P280,P305 + P351 + P338,P310
• 包装等级：
  II
• 危险类别：
  8
• 储存条件：
  | 冰箱 |

SDS

Name:	N-(3 -Aminopropyl)-2-Pyrrolidinone 95% (GC) Material Safety Data Sheet
Synonym:	None
CAS:	7663-77-6

Section 1 - Chemical Product MSDS Name:N-(3 -Aminopropyl)-2-Pyrrolidinone 95% (GC) Material Safety Data Sheet
Synonym:None

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
7663-77-6	N-(3'-Aminopropyl)-2-Pyrrolidinone	95	231-632-7

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation. The toxicological properties of this material have not been fully investigated.
Skin:
May cause skin irritation. The toxicological properties of this material have not been fully investigated.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Use water spray to keep fire-exposed containers cool. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Containers may explode when heated.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Cool containers with flooding quantities of water until well after fire is out. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Avoid runoff into storm sewers and ditches which lead to waterways.
Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition. Absorb spill using an absorbent, non-combustible material such as earth, sand, or vermiculite. Do not use combustible materials such as sawdust.
Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 7663-77-6: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Liquid
Color: clear, colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 120.0 - 123.0 deg C @ 1.00mm
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: > 112 deg C (> 233.60 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 1.0140g/cm3
Molecular Formula: C7H14N2O
Molecular Weight: 142.20

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 7663-77-6: UY5739500 LD50/LC50:
Not available.
Carcinogenicity:
N-(3'-Aminopropyl)-2-Pyrrolidinone - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 7663-77-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 7663-77-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 7663-77-6 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  1-(3-氨基丙基)-2-吡咯烷酮 在 4-二甲氨基吡啶 、 三乙胺 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 生成 2-(methylthio)-N-(3-(2-oxopyrrolidin-1-yl)propyl)-4-(phenylamino)pyrimidine-5-carboxamide
  参考文献：
  名称：

  Highly selective 2,4-diaminopyrimidine-5-carboxamide inhibitors of Sky kinase

  摘要：

  We report the SAR around a series of 2,4-diaminopyrimidine-5-carboxamide inhibitors of Sky kinase. 2-Aminophenethyl analogs demonstrate excellent potency but moderate kinase selectivity, while 2-aminobenzyl analogs that fill the Ala571 subpocket exhibit good inhibition activity and excellent kinase selectivity. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.12.013
• 作为产物：
  描述：

  3-(烯丙基氨基)丙腈 在 dirhodium tetraacetate 、 lithium aluminium tetrahydride 、 三丁基膦 、 氢气 作用下， 以 苯 为溶剂， 80.0 ℃ 、2.76 MPa 条件下， 反应 20.0h， 生成 1-(3-氨基丙基)-2-吡咯烷酮
  参考文献：
  名称：

  Rhodium-catalysed hydroformylation and carbonylation of N-alkenyl-1,3-diaminopropanes

  摘要：

  The rhodium catalysed reactions of N-alkenyl-1,3-diaminopropanes with H-2/CO usually give mixtures of diazabicycloalkanes and aminopropyl lactams. The chemo-and regioselectivity of these reactions are influenced by the choice of ligand and by the ratio of H-2 and CO in the gas mixture and in some cases formation of a single compound can be achieved. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)10193-4
• 作为试剂：
  描述：

  硫酸 、 水 、 uranyl(VI) acetate dihydrate 在 1-(3-氨基丙基)-2-吡咯烷酮 作用下， 反应 24.0h， 生成 uranium sulfate tetrahydrate
  参考文献：
  名称：

  四价金属硫酸盐四水合物的热化学研究：A 4+（SO 4）2（H 2 O）4（A 4+  = Zr，Ce，U）

  摘要：

  四种四价金属硫酸盐四水合物（A 4+（SO 4）2（H 2 O）4（A 4+  = Zr，Ce，U）：α-Zr（SO）的形成焓的合成，表征和量热测量4）2（H 2 O）4，α-Ce（SO 4）2（H 2 O）4，β-Ce（SO 4）2（H 2 O）4和β-U（SO 4）2（ H 2 O）4）报告。直接量热法测量表明，这些化合物从相应氧化物形成的焓与四价阳离子的八倍配位半径相关。在α-（Fddd）和β-（Pnma）形式之间观察到能量斜率变化，这与先前报道的研究一致。

  DOI：

  10.1016/j.jssc.2019.04.030

文献信息

• Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds
  申请人：Abbott Laboratories

  公开号：US20040116518A1

  公开（公告）日：2004-06-17

  The present invention relates to novel cinnamide compounds that are useful for treating inflammatory and immune diseases and cerebral vasospasm, to pharmaceutical compositions containing these compounds, and to methods of inhibiting inflammation or suppressing immune response in a mammal.

  本发明涉及新型肉桂酰胺化合物，用于治疗炎症和免疫性疾病以及脑血管痉挛，以及含有这些化合物的药物组合物，以及在哺乳动物中抑制炎症或抑制免疫反应的方法。
• LTA4H modulators and uses thereof
  申请人：Barchuk William T.

  公开号：US20080194630A1

  公开（公告）日：2008-08-14

  Leukotriene A4 hydrolase (LTA4H) inhibitors, compositions containing them, and methods of use for the inhibition of LTA4H enzyme activity and the treatment, prevention or inhibition of inflammation and/or conditions associated with inflammation.

  白三烯A4水解酶（LTA4H）抑制剂，含有它们的组合物，以及用于抑制LTA4H酶活性和治疗、预防或抑制炎症和/或与炎症相关疾病的方法。
• A SET OF GELDANAMYCIN DERIVATIVES AND THEIR PREPARATION METHODS
  申请人：Institute Of Medicinal Biotechnology, Chinese Academy of Medical Sciences

  公开号：EP2253621A1

  公开（公告）日：2010-11-24

  A set of geldanamycin derivatives and their preparation methods. Pharmaceutical compositions comprising the said compounds as an active ingredient which are used as antivirus and antitumor agents. The said derivatives are used in the manufacture of heat shock protein 90(Hsp 90) inhibiting agents which have the utility as antivirus and antitumor agents.

  一组格尔丹霉素衍生物及其制备方法。包含所述化合物作为活性成分的药物组合物，用作抗病毒和抗肿瘤药剂。所述衍生物用于制造具有抗热休克蛋白90（Hsp 90）抑制作用的药剂，具有作为抗病毒和抗肿瘤药剂的用途。
• Benzene Sulfonamide Thiazole and Oxazole Compounds
  申请人：Adams Jerry Leroy

  公开号：US20090298815A1

  公开（公告）日：2009-12-03

  The present invention provides thiazole sulfonamide and oxazole sulfonamide compounds, compositions containing the same, as well as processes for the preparation and methods for their use as pharmaceutical agents.

  本发明提供了噻唑磺胺和噁唑磺胺化合物，含有这些化合物的组合物，以及用作药物制剂的制备方法和使用方法。
• [EN] MACROCYCLIC INDOLE DERIVATIVES<br/>[FR] DÉRIVÉS D'INDOLE MACROCYCLIQUES
  申请人：BROAD INST INC

  公开号：WO2019096911A1

  公开（公告）日：2019-05-23

  The present invention relates to macrocyclic indole derivatives of general formula (I), in which R1, R2, R3, R4, R5, R6, A and L are as defined herein, methods of preparing said compounds, intermediate compounds useful for preparing said compounds, pharmaceutical compositions and combinations comprising said compounds, and the use of said compounds for manufacturing pharmaceutical compositions for the treatment or prophylaxis of diseases, in particular of hyperproliferative disorders, as a sole agent or in combination with other active ingredients.

  本发明涉及通式（I）所示的大环吲哚衍生物，其中R1、R2、R3、R4、R5、R6、A和L如本文所定义，制备所述化合物的方法，用于制备所述化合物的有用中间体化合物，包含所述化合物的药物组合物和组合物，以及利用所述化合物制造用于治疗或预防疾病的药物组合物，特别是治疗过度增殖性疾病的唯一药物或与其他活性成分组合使用。

表征谱图