(S)-2-((((9h-芴-9-基)甲氧基)羰基)(甲基)氨基)-2-苯乙酸 | 574739-36-9

• 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 - 芴
• 中文名称: (S)-2-((((9h-芴-9-基)甲氧基)羰基)(甲基)氨基)-2-苯乙酸
• 中文别名: Fmoc-N-甲基-L-苯基甘氨酸
• 英文名称: (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-2-phenylacetic acid
• 英文别名: (2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-2-phenylacetic acid
• CAS: 574739-36-9
• 化学式: C₂₄H₂₁NO₄
• 分子量: 387.435
• InChiKey: ZJBPFSBDUVNICK-QFIPXVFZSA-N

物化性质

• 沸点：
  580.4±39.0 °C(Predicted)
• 密度：
  1.281±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  66.8
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2924299090
• 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: Fmoc-nalpha-methyl-L-phenylglycine
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: Fmoc-nalpha-methyl-L-phenylglycine
CAS number: 574739-36-9

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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: C24H21NO4
Molecular weight: 387.4

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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：

  对硝基苯乙酸 、 1-萘甲基胺 、 草酰基二咪唑 、 (S)-2-((((9h-芴-9-基)甲氧基)羰基)(甲基)氨基)-2-苯乙酸 生成
  参考文献：
  名称：

  Solid-phase Synthesis of 2,3,5-Triketopiperadine

  摘要：

  首次实现了在固相载体上合成2,3,5-三酮哌啶。使用草酰二咪唑进行的4的环化反应在除肌氨酸（Sar）以外的N-甲基氨基酸中表现优异。另一方面，当使用没有N-甲基取代的氨基酸时，这种环化反应进展不佳。这可以解释为通过引入N-甲基取代，草酰胺5的顺反构型之间的能差降低，因为顺式构象是环化反应所必需的。这种环化反应对于具有六元环的氨基酸如四氢异喹啉-3-羧酸（Tic）和哌啶-2-羧酸（Pic）也同样有效，这些是N-烷基化的氨基酸。尽管在同样环化条件下，肌氨酸和具有五元环的氨基酸如脯氨酸（Pro）和噻唑烷-4-羧酸（Thz）的目标化合物纯度较低，但我们成功地优化了反应条件，得到了纯度良好的目标化合物。此外，证明了可以在固相载体上以高纯度制备具有三点多样性的2,3,5-三酮哌啶，显示了该方法的普遍性。

  DOI：

  10.1055/s-2003-38757