18903-01-0

• 常用中文名：N-肉桂基哌嗪
• 常用英文名：trans-1-cinnamylpiperazine
• CAS号：18903-01-0
• 分子式：C₁₃H₁₈N₂
• 分子量：202.29500
• 相关类别： 医药中间体 杂环化合物 哌嗪类化合物
• 发布时间：2018-06-10 18:27:11
• 更新时间：2024-01-02 22:09:30
• 【用途一】
  药物强痛定的中间体。

名称

• 中文名: N-肉桂基哌嗪
• 英文名: trans-1-cinnamylpiperazine
• 中文别名: 1-(肉桂)哌嗪
• 英文别名: MFCD00063251; trans-1-cinnamyl piperazine; EINECS 242-652-0; 1-cinnamyl-piperazine; N-CINNAMYLPIPERAZINE; 1-TRANS-CINNAMYL PIPERAZINE; trans-1-Ciamylpiperazine

物化性质

• 密度: 0.989g/mLat25ºC(lit.)
• 沸点: 129ºC1 mm Hg(lit.)
• 熔点: 39-44ºC(lit.)
• 分子式: C₁₃H₁₈N₂
• 分子量: 202.29500
• 闪点: >230
• 精确质量: 202.14700
• PSA: 15.27000
• LogP: 1.87170
• 外观性状: 透明无色至黄色液体在熔点后
• 蒸汽压: 7.92E-05mmHg at 25°C
• 折射率: 1.574-1.576
• 分子结构:

  1、 摩尔折射率：65.51

  2、 摩尔体积（m³/mol）：199.9

  3、 等张比容（90.2K）：496.8

  4、 表面张力（dyne/cm）：38.0

  5、 极化率（10^-24cm³）：25.97

• 计算化学:

  1、 疏水参数计算参考值（XlogP）：1.8

  2、 氢键供体数量：1

  3、 氢键受体数量：2

  4、 可旋转化学键数量：3

  5、 拓扑分子极性表面积（TPSA）：15.3

  6、 重原子数量：15

  7、 表面电荷：0

  8、 复杂度：189

  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：1

  14、 共价键单元数量：1

• 更多:

  1. 性状：不确定

  2. 密度（g/mL,25/4℃）：0.989(lit.)

  3. 相对蒸汽密度（g/mL,空气=1）：不确定

  4. 熔点（ºC）：39-44 (lit.)

  5. 沸点（ºC,常压）：不确定

  6. 沸点（ºC,1mmHg）：129(lit.)

  7. 折射率：1.574-1.576

  8. 闪点（ºF）：>230

  9. 比旋光度（º）：不确定

  10. 自燃点或引燃温度（ºC）：不确定

  11. 蒸气压（kPa,25ºC）：不确定

  12. 饱和蒸气压（kPa,60ºC）：不确定

  13. 燃烧热（KJ/mol）：不确定

  14. 临界温度（ºC）：不确定

  15. 临界压力（KPa）：不确定

  16. 油水（辛醇/水）分配系数的对数值：不确定

  17. 爆炸上限（%,V/V）：不确定

  18. 爆炸下限（%,V/V）：不确定

  19. 溶解性：不确定

MSDS

Name: 1-Cinnamylpiperazine Material Safety Data Sheet Synonym: CAS: 18903-01-0 Section 1 - Chemical Product MSDS Name:1-Cinnamylpiperazine Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 18903-01-0 1-Cinnamylpiperazine 242-652-0 Hazard Symbols: XI Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: Causes respiratory tract irritation. May be harmful if inhaled. Chronic: Not available. 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: Get medical aid. Wash mouth out with 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: 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. Section 7 - HANDLING and STORAGE Handling: 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# 18903-01-0: Personal Protective Equipment Eyes: Not available. 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: colorless - pale yellow Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 129 deg C @ 1 mmHg Freezing/Melting Point: 39-44 deg C Autoignition Temperature: Not available. Flash Point: > 110 deg C (> 230.00 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: 0.989 Molecular Formula: C13H18N2 Molecular Weight: 202.1394 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials, moisture. 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# 18903-01-0 unlisted. LD50/LC50: Not available. Carcinogenicity: 1-Cinnamylpiperazine - Not listed by ACGIH, IARC, or NTP. Section 12 - ECOLOGICAL INFORMATION Other No information available. Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA No information available. IMO No information available. RID/ADR No information available. 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 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 Wear suitable gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 18903-01-0: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 18903-01-0 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 18903-01-0 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 危害码 (欧洲): Xi: Irritant;
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): 26-36
• WGK德国: 3
• 海关编码: 2933599090

合成路线

82387-46-0 ~73% 18903-01-0

文献：Protiva; Kopicova; Grimova Collection of Czechoslovak Chemical Communications, 1982 , vol. 47, # 2 p. 636 - 643

117109-07-6 ~54% 18903-01-0

文献：Corsano; Strappaghetti; Brasili Archiv der Pharmazie, 1988 , vol. 321, # 3 p. 171 - 174

105041-05-2 ~% 18903-01-0

文献：Archiv der Pharmazie, , vol. 321, # 3 p. 171 - 174

21087-29-6 ~% 18903-01-0

文献：Collection of Czechoslovak Chemical Communications, , vol. 47, # 2 p. 636 - 643

上下游产品

上游产品  2
82387-46-0 21087-29-6
下游产品  4
55455-92-0 77862-93-2 67469-75-4 89513-70-2

制备

肉桂基氯与甲酰基哌嗪缩合，再经水解可得1-肉桂基哌嗪。将甲酰基哌嗪、无水乙醇、碳酸氢钠、肉桂基氯一起搅拌，加热至 80 ℃ 回流5h。反应物过滤后，将干燥氯化氢通入滤液成盐，过滤、干燥即得N-甲酰基-N'肉桂基哌嗪盐酸盐。将其溶解于水，用活性炭脱色。滤出脱色炭后加氢氧化钠于95 -100 ℃ 水解15h。反应液分层，上层油层即1-肉桂基哌嗪，收率68%。

海关

海关编码	2933599090
中文概述	2933599090. 其他结构上有嘧啶环的化合物(包括其他结构上有哌嗪环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素	品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
Summary	2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%