N-(对甲苯磺酰)-3-吡咯啉 | 16851-72-2

• 物质功能分类: 生物 - 细胞培养 - 添加剂
• 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: N-(对甲苯磺酰)-3-吡咯啉
• 中文别名: 1-(对甲苯磺酰基)-2,5-二氢吡咯；N-(对甲苯磺酰基)-3-吡咯烷；1-(甲苯-4-磺酰基)-2,5-二氢-1H-吡咯；N-对甲苯磺酰-3-吡咯啉
• 英文名称: 1-[(4-methylphenyl)sulfonyl]-2,5-dihydro-1H-pyrrole
• 英文别名: 1-tosyl-2,5-dihydro-1H-pyrrole；N-tosyl-2,5-dihydropyrrole；1-(toluene-4-sulfonyl)-2,5-dihydro-1H-pyrrole；2,5-dihydro-1-tosyl-1H-pyrrole；N-tosyl-3-pyrroline；1-(p-toluenesulfonyl)-2,5-dihydropyrrole；1-(p-tosyl)-2,5-dihydro-1H-pyrrole；N-p-tosyl-2,5-dihydro-1H-pyrrole；1-tosyl-2,5-dihydropyrrole；1-tosyl-3-pyrroline；N-(p-Toluenesulfonyl)-3-pyrroline；1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole
• CAS: 16851-72-2
• 化学式: C₁₁H₁₃NO₂S
• mdl: MFCD01321189
• 分子量: 223.296
• InChiKey: UNYMIBRUQCUASP-UHFFFAOYSA-N

物化性质

• 熔点：
  127°C
• 沸点：
  354℃
• 密度：
  1.264
• 闪点：
  168℃

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.272
• 拓扑面积：
  45.8
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险类别码：
  R36/37/38
• 海关编码：
  2933990090
• 安全说明：
  S26,S36
• 危险性防范说明：
  P264,P280,P302+P352+P332+P313+P362+P364,P305+P351+P338+P337+P313
• 危险性描述：
  H315,H319
• 储存条件：
  | 室温 |

SDS

N-(p-Toluenesulfonyl)-3-pyrroline Revision number: 5
SAFETY DATA SHEET

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Section 1. IDENTIFICATION
Product name: N-(p-Toluenesulfonyl)-3-pyrroline

Revision number: 5

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Section 2. HAZARDS IDENTIFICATION
GHS classification
PHYSICAL HAZARDS Not classified
HEALTH HAZARDS
Skin corrosion/irritation Category 2
Category 2A
Serious eye damage/eye irritation
ENVIRONMENTAL HAZARDS Not classified
GHS label elements, including precautionary statements
Pictograms or hazard symbols
Signal word Warning
Hazard statements Causes skin irritation
Causes serious eye irritation
Precautionary statements:
Wash hands thoroughly after handling.
[Prevention]
Wear protective gloves/eye protection/face protection.
IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,
[Response]
if present and easy to do. Continue rinsing.
If eye irritation persists: Get medical advice/attention.
IF ON SKIN: Gently wash with plenty of soap and water.
If skin irritation occurs: Get medical advice/attention.
Take off contaminated clothing and wash before reuse.

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance/mixture: Substance
Components: N-(p-Toluenesulfonyl)-3-pyrroline
Percent: >98.0%(GC)
CAS Number: 16851-72-2
Synonyms: N-Tosyl-3-pyrroline
C11H13NO2S
Chemical Formula:

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Section 4. FIRST AID MEASURES
Inhalation: Remove victim to fresh air and keep at rest in a position comfortable for breathing.
Get medical advice/attention if you feel unwell.
N-(p-Toluenesulfonyl)-3-pyrroline

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Section 4. FIRST AID MEASURES
Skin contact: Remove/Take off immediately all contaminated clothing. Gently wash with plenty of
soap and water. If skin irritation or rash occurs: Get medical advice/attention.
Eye contact: Rinse cautiously with water for several minutes. Remove contact lenses, if present
and easy to do. Continue rinsing. If eye irritation persists: Get medical
advice/attention.
Ingestion: Get medical advice/attention if you feel unwell. Rinse mouth.
A rescuer should wear personal protective equipment, such as rubber gloves and air-
Protection of first-aiders:
tight goggles.

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Section 5. FIRE-FIGHTING MEASURES
Suitable extinguishing Dry chemical, foam, water spray, carbon dioxide.
media:
Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to
from the chemical: generate poisonous fume.
Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
method according to the surrounding situation is used. Uninvolved persons should
evacuate to a safe place. In case of fire in the surroundings: Remove movable
containers if safe to do so.
Special protective When extinguishing fire, be sure to wear personal protective equipment.
equipment for firefighters:

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Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions, Use personal protective equipment. Keep people away from and upwind of spill/leak.
protective equipment and Entry to non-involved personnel should be controlled around the leakage area by
emergency procedures: roping off, etc.
Environmental precautions: Prevent product from entering drains.
Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it.
containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with
up: appropriate laws and regulations.

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Section 7. HANDLING AND STORAGE
Precautions for safe handling
Technical measures: Handling is performed in a well ventilated place. Wear suitable protective equipment.
Prevent dispersion of dust. Wash hands and face thoroughly after handling.
Use a local exhaust if dust or aerosol will be generated.
Advice on safe handling: Avoid contact with skin, eyes and clothing.
Conditions for safe storage, including any
incompatibilities
Storage conditions: Keep container tightly closed. Store in a cool and dark place.
Store away from incompatible materials such as oxidizing agents.
Packaging material: Comply with laws.

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Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
Engineering controls: Install a closed system or local exhaust as possible so that workers should not be
exposed directly. Also install safety shower and eye bath.
Personal protective equipment
Respiratory protection: Dust respirator. Follow local and national regulations.
Hand protection: Protective gloves.
Safety glasses. A face-shield, if the situation requires.
Eye protection:
Skin and body protection: Protective clothing. Protective boots, if the situation requires.

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Physical state (20°C): Solid
Crystal- Powder
Form:
Colour: White - Almost white
No data available
Odour:
N-(p-Toluenesulfonyl)-3-pyrroline

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
pH: No data available
Melting point/freezing point:127°C
Boiling point/range: No data available
Flash point: No data available
Flammability or explosive
limits:
Lower: No data available
Upper: No data available
Relative density: No data available
Solubility(ies):
[Water] No data available
[Other solvents]
Soluble: Hot methanol

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Section 10. STABILITY AND REACTIVITY
Chemical stability: Stable under proper conditions.
Possibility of hazardous No special reactivity has been reported.
reactions:
Incompatible materials: Oxidizing agents
Hazardous decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx), Sulfur oxides
products:

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Section 11. TOXICOLOGICAL INFORMATION
Acute Toxicity: No data available
Skin corrosion/irritation: No data available
Serious eye No data available
damage/irritation:
Germ cell mutagenicity: No data available
Carcinogenicity:
IARC = No data available
NTP = No data available
Reproductive toxicity: No data available

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Section 12. ECOLOGICAL INFORMATION
Ecotoxicity:
Fish: No data available
Crustacea: No data available
No data available
Algae:
Persistence / degradability: No data available
No data available
Bioaccumulative
potential(BCF):
Mobility in soil
Log Pow: No data available
Soil adsorption (Koc): No data available
Henry's Law No data available
constant(PaM3/mol):

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Section 13. DISPOSAL CONSIDERATIONS
Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material
with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system.
Observe all federal, state and local regulations when disposing of the substance.

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Section 14. TRANSPORT INFORMATION
Hazards Class: Does not correspond to the classification standard of the United Nations
UN-No: Not listed
N-(p-Toluenesulfonyl)-3-pyrroline

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Section 15. REGULATORY INFORMATION
Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002
and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport,
loading and unloading were prescribed.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  N-(对甲苯磺酰)-3-吡咯啉 在 三乙基硅烷 作用下， 以 二氯甲烷 为溶剂， 反应 5.0h， 生成 1-对甲苯磺酰吡咯烷
  参考文献：
  名称：

  使用钌卡宾催化剂和硅烷还原烯烃

  摘要：

  在三烷基硅烷的存在下，钌卡宾配合物能够介导烯烃的还原。在这些还原条件下，当动力学有利的闭环复分解是可能的时，可以进行一锅环化还原序列。

  DOI：

  10.1055/s-2005-872695
• 作为产物：
  描述：

  N-(buta-2,3-dien-1-yl)-4-methylbenzenesulfonamide 在 二环己胺 、 copper(I) bromide 作用下， 以 1,4-二氧六环 为溶剂， 反应 3.0h， 以42%的产率得到N-(对甲苯磺酰)-3-吡咯啉
  参考文献：
  名称：

  用于 3-吡咯啉合成的铜催化多米诺同系化和环异构化反应

  摘要：

  发现溴化铜是产生 3-吡咯啉的多米诺反应序列的有效催化剂。Cu(I) 催化炔丙基磺酰胺的 Crabbe 反应和丙二烯中间体的选择性环异构化是使用微波辐射条件进行的，提供了广泛的 2-取代-和 2,5-二取代-3-吡咯啉。反应中间体的机理研究揭示了两种可能的反应途径；两者都提到了乙烯基铜中间体的重要性。

  DOI：

  10.1002/ejoc.201301621
• 作为试剂：
  描述：

  N,N-二烯丙基-4-甲基苯磺酰胺 、 在 silica gel 、 氢气 、 N,N-二烯丙基-4-甲基苯磺酰胺 、 N-(对甲苯磺酰)-2-吡咯啉 、 N-(对甲苯磺酰)-3-吡咯啉 、 title compound 作用下， 以 甲苯 为溶剂， 70.0~260.0 ℃ 、8.0 MPa 条件下， 反应 11.09h， 以8% of 1-(toluene-4-sulfonyl)-2,3-dihydro-1H-pyrrole were formed的产率得到N-(对甲苯磺酰)-2-吡咯啉
  参考文献：
  名称：

  Metathesis catalysts

  摘要：