1-phenyl-3-dimethylaminoprop-2-enone | 1201-93-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-phenyl-3-dimethylaminoprop-2-enone
• 英文别名: 3-(dimethylamino)-1-phenylprop-2-en-1-one；3-(dimethylamino)-1-phenyl-2-propen-1-one；3-(dimethylamino)-1-phenyl-propenone；3-(dimethylamino)-1-phenylprop-2-enone
• CAS: 1201-93-0
• 化学式: C₁₁H₁₃NO
• mdl: MFCD00121193
• 分子量: 175.23
• InChiKey: HUTKDPINCSJXAA-UHFFFAOYSA-N

物化性质

• 熔点：
  91-93°C
• 沸点：
  260.0±32.0 °C(Predicted)
• 密度：
  1.022±0.06 g/cm3(Predicted)
• 溶解度：
  溶于甲醇
• 最大波长(λmax)：
  325nm(lit.)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 危险类别：
  IRRITANT
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302
• 储存条件：
  室温且干燥环境下使用。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: (E)-3-(dimethylamino)-1-phenylprop-2-en-1-one
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: (E)-3-(dimethylamino)-1-phenylprop-2-en-1-one
CAS number: 1201-93-0

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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: C11H13NO
Molecular weight: 175.2

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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.

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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-phenyl-3-dimethylaminoprop-2-enone 在 氢氧化钾 、 盐酸羟胺 作用下， 以 乙醇 、 水 为溶剂， 以89%的产率得到苯甲酰乙腈
  参考文献：
  名称：

  Synthesis of 5-Substituted 3-Amino-1H-Pyrazole-4-Carbonitriles as Precursors for Microwave Assisted Regiospecific Syntheses of Pyrazolo[1,5-a]Pyrimidines

  摘要：

  描述了一条简单的合成路线，用于制备标题化合物的前体3-oxoalkanonitrile 5。将enaminones 2与盐酸羟胺在乙醇中反应，生成了aldoximes 3，这些化合物可以在碱性条件下轻易转化为5。这种方法成功应用于多种底物，产生了优良的产率。将5与三氯乙腈反应，得到3-amino-2-aroyl-4,4,4-trichloro-2-butenenitriles 6，进而与肼反应生成3-amino-1H-pyrazole-4-carbonitrile衍生物8。通过与不对称双电电荷体的区位选择性缩合反应，合成了取代的pyrazolo[1,5-a]pyridimidines。根据1H-NMR和1H-15N HMBC测定推导出所获得化合物的结构。

  DOI：

  10.3390/molecules14010078
• 作为产物：
  描述：

  1-benzoyl-2-chloroethene 在 水 作用下， 以 乙醚 为溶剂， 生成 1-phenyl-3-dimethylaminoprop-2-enone
  参考文献：
  名称：

  Reactions of (2-acylvinyl)trialkylammonium salts with nucleophilic reagents

  摘要：

  DOI：

  10.1007/bf00848707
• 作为试剂：
  描述：

  1,1-二苯乙烯 、 亚磷酸二乙酯 在 1-phenyl-3-dimethylaminoprop-2-enone 、 manganese triacetate 、 溶剂黄146 作用下， 以 1,4-二氧六环 为溶剂，