1484-85-1

• 常用中文名：3,4-亚甲二氧苯乙胺
• 常用英文名：Methylenedioxyphenethylamine
• CAS号：1484-85-1
• 分子式：C₉H₁₁NO₂
• 分子量：165.189
• 相关类别： 有机原料 氨基化合物 无环单胺、多胺及其衍生物和盐
• 发布时间：2018-05-01 08:00:00
• 更新时间：2024-01-02 17:54:53
• 【用途一】
  该品是医药黄连素和多马胺的中间体。

名称

• 中文名: 胡椒乙胺
• 英文名: 2-(1,3-benzodioxol-5-yl)ethanamine
• 中文别名: 3,4-亚甲二氧基苯乙胺; 2-(3,4-亚甲二氧苯基)乙胺; 3,4-亚甲二氧苯乙胺
• 英文别名: EINECS 216-060-8; 1,3-Benzodioxole-5-ethanamine; 3,4-methylenedioxyphenylethylamine; 3,4-methylenedioxyphenethylamine; Homopiperonylamine; Methylenedioxyphenylethylamine; 2-(1,3-Benzodioxol-5-yl)ethanamine; Benzo-1,3-dioxole-5-ethylamine; MFCD00060509; 2-[3,4-(methylenedioxyphenyl)]ethylamine; Methylenedioxyphenethylamine; Phenethylamine,3,4-methylenedioxy

物化性质

• 密度: 1.2±0.1 g/cm3
• 沸点: 274.3±9.0 °C at 760 mmHg
• 熔点: −131.5-−131 °C(lit.)
• 分子式: C₉H₁₁NO₂
• 分子量: 165.189
• 闪点: 129.8±26.0 °C
• 精确质量: 165.078979
• PSA: 44.48000
• LogP: 1.32
• 外观性状: 无色液体
• 蒸汽压: 0.0±0.6 mmHg at 25°C
• 折射率: 1.578
• 储存条件: -20°C Freezer, Under Inert Atmosphere
• 分子结构:

  1、 摩尔折射率：52.61

  2、 摩尔体积（cm³/mol）：165.0

  3、 等张比容（90.2K）：424.6

  4、 表面张力（dyne/cm）：43.7

  5、 极化率（10-24cm3）：20.85

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:1

  3.氢键受体数量:3

  4.可旋转化学键数量:2

  5.互变异构体数量:无

  6.拓扑分子极性表面积44.5

  7.重原子数量:12

  8.表面电荷:0

  9.复杂度:152

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

• 更多:

  1.性状：该品常温下为液体。

  2.沸点（2.67kPa ,ºC）：166

  3.沸点（1.33kPa,ºC）：146-148

  4. 相对密度(20℃/20℃) ：1.225

  5.折射率（n²⁰）：1.5620

MSDS

Material Safety Data Sheet Section1. Identification of the substance Product Name: Homopiperonylamine Synonyms: Section2. Hazards identification Harmful by inhalation, in contact with skin, and if swallowed. Section3. Composition/information on ingredients. Ingredient name:Homopiperonylamine CAS number:1484-85-1 Section4. 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. Section5. 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. Section6. 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. Section7. 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: Section8. 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. Section9. Physical and chemical properties Appearance:Not specified Boiling point:No data No data Melting point: Flash point:No data Density:No data Molecular formula:C9H11NO2 Molecular weight:165.2 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides. Section11. Toxicological information No data. Section12. Ecological information No data. Section13. 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. Section14. Transportation information Non-harzardous for air and ground transportation. Section15. 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. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : SH9670000 CHEMICAL NAME : Phenethylamine, 3,4-methylenedioxy- CAS REGISTRY NUMBER : 1484-85-1 BEILSTEIN REFERENCE NO. : 0383838 LAST UPDATED : 199612 DATA ITEMS CITED : 1 MOLECULAR FORMULA : C9-H11-N-O2 MOLECULAR WEIGHT : 165.21 WISWESSER LINE NOTATION : T56 BO DO CHJ G2Z HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 300 mg/kg TOXIC EFFECTS : Behavioral - excitement Lungs, Thorax, or Respiration - respiratory stimulation REFERENCE : JPHYA7 Journal of Physiology. (Cambridge Univ. Press, 32 E. 57th St., New York, NY 10022) V.1- 1878- Volume(issue)/page/year: 76,224,1932

安全

• 危害码 (欧洲): F,Xi,N
• 风险声明 (欧洲): R11:Highly Flammable. R43:May cause sensitization by skin contact. R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
• 安全声明 (欧洲): S36/37-S61
• 危险品运输编码: UN 3295 3/PG 2
• WGK德国: 3
• 包装等级: II
• 危险类别: 3
• 海关编码: 2935009090

合成路线

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制备

由胡椒乙腈或胡椒乙叉亚胺经催化加氢制得。将胡椒乙太亚胺、乙醇、镍触媒如入高压釜。用氮置换釜内空气后通入氨气，再通氢。控制压力3-4MPa、温度95-100℃，氢化反应进行至不再吸氢时算起，继续保温、保持氢压30min。冷却至30℃，降压静置，利用釜内余压出料过滤，除去镍触媒（浸入乙醇套用）。滤液先在常压蒸馏回收氨乙醇溶液，再进行减压蒸馏，收集110-140℃（1.33kPa）馏分，得胡椒乙胺。收率80%。采用胡椒乙腈生产时，工艺过程相仿，温度为80-85℃，压力为1MPa左右。得到含量为92-94%的胡椒乙胺。原料消耗定额：胡椒乙腈1050kg/t、兰尼镍23.4kg/t、氢70kg/t、乙醇（99%）982kg/t。

海关

海关编码	2932999099
中文概述	2932999099. 其他仅含氧杂原子的杂环化合物. 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
Summary	2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%