120737-59-9 (4-叔丁氧羰基-2-甲基哌嗪,Tert-butyl 3-methylpiperazine-1-carboxylate)

CAS号:
120737-59-9
中文名称:
4-叔丁氧羰基-2-甲基哌嗪
英文名称:
Tert-butyl 3-methylpiperazine-1-carboxylate
分子式:
C10H20N2O2
分子量:
200.278002738953

4-叔丁氧羰基-2-甲基哌嗪(120737-59-9)名称与标识符

名称

中文别名:
4-叔丁氧羰基-2-甲基哌嗪;4-叔丁氧羰基-2-甲基-哌嗪;1-BOC-3-甲基哌嗪;4-N-Boc-2-甲基哌嗪;N-Boc-3-甲基哌嗪;2-甲基哌嗪;4-Boc-2-甲基哌嗪;4-N-Boc-2-甲基哌嗪,4-N-Boc-2-Methylpiperazine;环丙基甲基胺;三氟拉嗪;4-叔丁氧羰基-2-甲基哌;3-甲基-1-叔丁氧羰基哌嗪;(+/-)-1-BOC-3-甲基哌嗪;
英文别名:
tert-Butyl 3-methylpiperazine-1-carboxylate;N-1-BOC-3-METHYL PIPERAZINE;(+/-)-N4-BOC-2-METHYLPIPERAZINE;4-BOC-2-METHYL PIPERAZINE;3-METHYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;2-METHYL-4-BOC-PIPERAZINE;1-Boc-3-methyl-piperazine;4-N-Boc-2-methylpiperazine;(±)-1-Boc-3-methylpiperazine;N-Boc-3-Methyl-Piperazine;(+-)-N4-BOC-2-METHYLPIPERAZINE;4-Boc-2-methyl-piperazine;4-N-Boc-2-methylpiperazine ;C10H20N2O2;1-Boc-3-Methylpiperazine;3-Methylpiperazine, N1-BOC protected;4-N-Boc-2-Methyl-Piperazine;Boc-3-methylpiperazine;1-N-Boc-3-methylpiperizine;N-1-BOC-3-METHYL PIPERIZINE;4-boc-2-methylpiperazine;tert-Butyl 3-methyl-1-piperazinecarboxylate;1-PIPERAZINECARBOXYLIC ACID, 3-METHYL-, 1,1-DIMETHYLETHYL ESTER;2-methylpiperazine, n4-boc protected;3-methylpiperazine-1-carboxylic acid tert-butyl ester;4-boc-2-methyl piper;AC-2198;(1,1-dimethylethyl)3-methyl-1-piperazinecarboxylate;AKOS005255319;n-1-boc-3-methylpiperazine;SCHEMBL16018;AM20080151;(3s)-1-boc-3-methylpiperazine;tert-butyl-3-methylpiperazine-1-carboxylate;120737-59-9;FMLPQHJYUZTHQS-UHFFFAOYSA-N;tert-butyl 3-methylpiperazine-carboxylate;MFCD03001706;W-205097;3-Methyl-piperazine-1-carboxylic acid tert-butyl ester; tert-Butyl 3-methylpiperazine-1-carboxylate;1-(tert-butoxycarbonyl)-3-methylpiperazine;1-t-butoxycarbonyl-3-methylpiperazine;(1,1-dimethylethyl)-3-methyl-1-piperazinecarboxylate;tert-Butyl-3-methylpiperazine carboxylate;FT-0601729;BCP06145;Z872809268;SY007920;AB12466;rac-3-methyl-piperazine-1-carboxylic acid tert-butyl ester;AB12865;FT-0600980;racemic tert-butyl 3-methylpiperazine-1-carboxylate;2-methyl-4tert-butoxycarbonylpiperazine;SY002666;F0001-0339;tert.butyl 3-methyl-piperazine-1-carboxylate;MFCD02683205;AB12467;4-N-Boc-2-methyl-piperazine, AldrichCPR;1-tert-butoxycarbonyl-3-methylpiperazine;DTXSID10373555;SY018030;FT-0601728;(+/-)-tert-Butyl 3-methylpiperazine-1-carboxylate;EN300-57163;MFCD02683204;PS-3848;(1,1-dimethylethyl) 3-methyl-1-piperazinecarboxylate;t-butyl 3-methylpiperazine-1-carboxylate;CS-D0651;(R)-1-Boc-3-methylpiperazine; tert-Butyl (R)-3-methyl-1-piperazinecarboxylate;DB-006878;3-Methyl-piperazine-1-carboxylic acid tert-butyl ester4-Boc-2-Methyl Piperazine;(S)-tert-butyl 3-methylpiperazine-1-carboxylate;tert-Butyl (S)-3-methyl-1-piperazinecarboxylate; (S)-1-Boc-3-methylpiperazine;

标识符

MDL:
MFCD03001706
InChIKey:
FMLPQHJYUZTHQS-UHFFFAOYSA-N
Inchi:
1S/C10H20N2O2/c1-8-7-12(6-5-11-8)9(13)14-10(2,3)4/h8,11H,5-7H2,1-4H3
SMILES:
O(C(N1CCNC(C)C1)=O)C(C)(C)C

4-叔丁氧羰基-2-甲基哌嗪(120737-59-9)物化性质

实验特性

  • LogP : 1.48190
  • PSA : 41.57000
  • 折射率 : 1.459
  • 沸点 : 268.7℃ at 760 mmHg
  • 闪点 : 116.3℃
  • 颜色与性状 : Yellow to Brown Liquid
  • 密度 : 0.997

计算特性

  • 精确分子量 : 200.15200
  • 氢键供体数量 : 1
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 2
  • 同位素质量 : 200.152
  • 重原子数量 : 14
  • 复杂度 : 211
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 1
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 0.9
  • 拓扑分子极性表面积 : 41.6

4-叔丁氧羰基-2-甲基哌嗪(120737-59-9)海关数据

海关编码:
2933599090
海关数据:

中国海关编码:

2933599090

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%

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4-叔丁氧羰基-2-甲基哌嗪(120737-59-9)相关文献

4-叔丁氧羰基-2-甲基哌嗪(120737-59-9)参考资料

Beilstein:
MFCD03001706
PubChem CID:

4-叔丁氧羰基-2-甲基哌嗪(120737-59-9) MSDS

基础信息

  Material Safety Data Sheet

Section 1. Identi?cation of the substance
    Product Name:      4-N-Boc-2-methyl-piperazine    
    Synonyms:

Section 2. Hazards identi?cation
    Harmful by inhalation, in contact with skin, and if swallowed.
    H315:        Causes skin irritation    
    H319:        Causes serious eye irritation    
    H335:        May cause respiratory irritation    
    H410:        Very toxic to aquatic life with long lasting effects    
    P261:        Avoid breathing dust/fume/gas/mist/vapours/spray    
    P273:        Avoid release to the environment    
    P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
    and easy to do – continue rinsing

Section 3. Composition/information on ingredients.
    Ingredient name:        4-N-Boc-2-methyl-piperazine    
    CAS number:        120737-59-9    

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    
    ?ushing of the eyes by separating the eyelids with ?ngers. 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.    

Section 5. Fire ?ghting measures
    In the event of a ?re 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.

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.

Section 7. Handling and storage
    Handling:        This product should be handled only by, or under the close supervision of, those properly quali?ed    
    in the handling and use of potentially hazardous chemicals, who should take into account the ?re,
    health and chemical hazard data given on this sheet.
    Storage:        Store in closed vessels, refrigerated.    

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.

Section 9. Physical and chemical properties
    Appearance:        Not speci?ed    
    Boiling point:        No data    
    Melting point:        No data    
    Flash point:        No data    
    Density:        No data    
    Molecular formula:        C10 H20 N2 O2    
    Molecular weight:        200.3    

Section 10. Stability and reactivity
    Conditions to avoid: Heat, ?ames and sparks.
    Materials to avoid: Oxidizing agents.
    Possible hazardous combustion products: Carbon monoxide, nitrogen oxides.

Section 11. Toxicological information
    No data.

Section 12. Ecological information
    No data.

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.

Section 14. Transportation information
    Non-harzardous for air and ground transportation.

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.


SECTION 16 - ADDITIONAL INFORMATION
N/A