151910-11-1

• 常用中文名：(1S,2R)-N-BOC-1-氨基-2-苯基环丙烷羧酸
• 常用英文名：(1s,2r)-n-boc-1-amino-2-phenylcyclopropanecarboxylic acid
• CAS号：151910-11-1
• 分子式：C₁₅H₁₉NO₄
• 分子量：277.316
• 发布时间：2018-12-24 16:12:12
• 更新时间：2024-01-10 22:19:43

名称

• 中文名: (1S,2R)-N-BOC-1-氨基-2-苯基环丙烷羧酸
• 英文名: (1s,2r)-n-boc-1-amino-2-phenylcyclopropanecarboxylic acid
• 英文别名: Cyclopropanecarboxylic acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-phenyl-, (1S,2R)-; (1S,2R)-1-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-2-phenylcyclopropanecarboxylic acid; Cyclohexadiene-1,2-diol-1-carboxylic acid

物化性质

• 密度: 1.2±0.1 g/cm3
• 沸点: 450.3±45.0 °C at 760 mmHg
• 熔点: 89-91ºC
• 分子式: C₁₅H₁₉NO₄
• 分子量: 277.316
• 闪点: 226.1±28.7 °C
• 精确质量: 277.131409
• PSA: 75.63000
• LogP: 2.39
• 蒸汽压: 0.0±1.2 mmHg at 25°C
• 折射率: 1.565
• 储存条件:

  密闭于阴凉干燥环境中

• 稳定性:

  遵照规定使用和储存则不会分解。

• 分子结构:

  1、 摩尔折射率：73.53

  2、 摩尔体积（m³/mol）：225.8

  3、 等张比容（90.2K）：601.2

  4、 表面张力（dyne/cm）：50.2

  5、 极化率（10^-24cm³）：29.15

• 计算化学:

  1、 疏水参数计算参考值（XlogP）：无可用

  2、 氢键供体数量：2

  3、 氢键受体数量：6

  4、 可旋转化学键数量：0

  5、 拓扑分子极性表面积（TPSA）：132

  6、 重原子数量：11

  7、 表面电荷：0

  8、 复杂度：37.4

  9、 同位素原子数量：0

  10、 确定原子立构中心数量：0

  11、 不确定原子立构中心数量：0

  12、 确定化学键立构中心数量：0

  13、 不确定化学键立构中心数量：0

  14、 共价键单元数量：3

• 更多:

  1. 性状：无可用

  2. 密度（g/mL,25/4℃）：无可用

  3. 相对蒸汽密度（g/mL,空气=1）：无可用

  4. 熔点（ºC）：89-91

  5. 沸点（ºC,常压）：无可用

  6. 沸点（ºC,5.2kPa）：无可用

  7. 折射率：无可用

  8. 闪点（ºC）：无可用

  9. 比旋光度（º）：无可用

  10. 自燃点或引燃温度（ºC）：无可用

  11. 蒸气压（kPa,25ºC）：无可用

  12. 饱和蒸气压（kPa,60ºC）：无可用

  13. 燃烧热（KJ/mol）：无可用

  14. 临界温度（ºC）：无可用

  15. 临界压力（KPa）：无可用

  16. 油水（辛醇/水）分配系数的对数值：无可用

  17. 爆炸上限（%,V/V）：无可用

  18. 爆炸下限（%,V/V）：无可用

  19. 溶解性：无可用

MSDS

Name: (1s 2r)-n-boc-1-amino-2-phenylcyclopropanecarboxylic acid Material Safety Data Sheet Synonym: None Known CAS: 151910-11-1 Section 1 - Chemical Product MSDS Name:(1s 2r)-n-boc-1-amino-2-phenylcyclopropanecarboxylic acid Material Safety Data Sheet Synonym:None Known Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 151910-11-1 (1S,2R)-N-BOC-1-Amino-2-phenylcyclopro unlisted Hazard Symbols: XI Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to eyes, respiratory system and skin.The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: May cause eye irritation. Skin: Non-irritating to the skin. May be harmful if absorbed through the skin. Ingestion: May be harmful if swallowed. Inhalation: May be harmful if inhaled. Chronic: No information found. 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. Ingestion: 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. Notes to Physician: Treat symptomatically and supportively. 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. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Vacuum or sweep up material and place into a suitable disposal container. Avoid generating dusty conditions. Section 7 - HANDLING and STORAGE Handling: Use with adequate ventilation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Storage: Store in a cool, dry place. Store in a tightly closed container. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 151910-11-1: 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. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Solid Color: Not available. Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 89 - 91 deg C Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C15H19NO4 Molecular Weight: 277.32 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable. Conditions to Avoid: Incompatible materials, dust generation. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 151910-11-1 unlisted. LD50/LC50: Not available. Carcinogenicity: (1S,2R)-N-BOC-1-Amino-2-phenylcyclopropanecarboxylic acid - Not listed by ACGIH, IARC, or NTP. Section 12 - ECOLOGICAL INFORMATION Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA Shipping Name: Not regulated. Hazard Class: UN Number: Packing Group: IMO Shipping Name: Not regulated. Hazard Class: UN Number: Packing Group: RID/ADR Shipping Name: Not regulated. Hazard Class: UN Number: Packing group: Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XI Risk Phrases: R 36/37/38 Irritating to eyes, respiratory system and skin. Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 151910-11-1: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 151910-11-1 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 151910-11-1 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 该物质对环境可能有危害，对水体应给予特别注意。

安全

• 危害码 (欧洲): Xi
• 风险声明 (欧洲): 36/37/38
• 安全声明 (欧洲): S26-S37-S39

合成路线

151910-10-0 ~96% 151910-11-1

文献：Williams, Robert M.; Fegley, Glenn J. Journal of Organic Chemistry, 1993 , vol. 58, # 24 p. 6933 - 6935

24424-99-5 ~% 151910-11-1

文献：Davies, Huw M. L.; Bruzinski, Paul R.; Lake, Debra H.; Kong, Norman; Fall, Michael J. Journal of the American Chemical Society, 1996 , vol. 118, # 29 p. 6897 - 6907

123806-65-5 ~% 151910-11-1

文献：Davies, Huw M. L.; Bruzinski, Paul R.; Lake, Debra H.; Kong, Norman; Fall, Michael J. Journal of the American Chemical Society, 1996 , vol. 118, # 29 p. 6897 - 6907

180322-87-6 ~% 151910-11-1

文献：Davies, Huw M. L.; Bruzinski, Paul R.; Lake, Debra H.; Kong, Norman; Fall, Michael J. Journal of the American Chemical Society, 1996 , vol. 118, # 29 p. 6897 - 6907

180322-84-3 ~% 151910-11-1

文献：Davies, Huw M. L.; Bruzinski, Paul R.; Lake, Debra H.; Kong, Norman; Fall, Michael J. Journal of the American Chemical Society, 1996 , vol. 118, # 29 p. 6897 - 6907

72397-56-9 ~% 151910-11-1

文献：Davies, Huw M. L.; Bruzinski, Paul R.; Lake, Debra H.; Kong, Norman; Fall, Michael J. Journal of the American Chemical Society, 1996 , vol. 118, # 29 p. 6897 - 6907

151843-16-2 ~% 151910-11-1

文献：Williams, Robert M.; Fegley, Glenn J. Journal of Organic Chemistry, 1993 , vol. 58, # 24 p. 6933 - 6935

151843-15-1 ~% 151910-11-1

文献：Williams, Robert M.; Fegley, Glenn J. Journal of Organic Chemistry, 1993 , vol. 58, # 24 p. 6933 - 6935

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