59433-50-0 (N-Boc-DL-脯氨酸,1-[(tert-butoxy)carbonyl]pyrrolidine-2-carboxylic acid)

CAS号:
59433-50-0
中文名称:
N-Boc-DL-脯氨酸
英文名称:
1-[(tert-butoxy)carbonyl]pyrrolidine-2-carboxylic acid
分子式:
C10H17NO4
分子量:
215.24628329277

N-Boc-DL-脯氨酸(59433-50-0)名称与标识符

名称

中文别名:
N-BOC-DL-脯氨酸;Boc-DL-脯氨酸;吡咯烷-1,2-二羧基 酸 1-叔-丁基 酯;1-BOC-2-吡咯烷甲酸;BOC-DL-脯氨酸 1-(叔丁氧羰基)吡咯烷-2-羧酸 吡咯烷-1,2-二甲酸 1-叔丁酯;吡咯烷-1,2-二甲酸 1-叔丁酯;
英文别名:
1,2-Pyrrolidinedicarboxylicacid, 1-(1,1-dimethylethyl) ester;1-(tert-Butoxycarbonyl)pyrrolidine-2-carboxylic acid;BOC-DL-PRO-OH;Boc-DL-proline;(±)-N-(tert-Butoxycarbonyl)proline;1-tert-Butyl 1,2-pyrrolidinedicarboxylate;N-(tert-Butoxycarbonyl)pyrrolidine-2-carboxylic acid;N-tert-Butoxycarbonyl-DL-proline;NSC 108689;N-Boc-DL-proline;1-(tert-Butoxycarbonyl)proline;1-[(tert-butoxy)carbonyl]pyrrolidine-2-carboxylic acid;Pyrrolidine-1,2-Dicarboxylic Acid 1-Tert-Butyl Ester;Boc-3,4-dihydro-D-proline;ZQEBQGAAWMOMAI-UHFFFAOYSA-N;1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(+/-)-1-BOC-PYRROLIDINE-2-CARBOXYLIC ACID;tert-Butoxycarbonylproline;1,2-Pyrrolidinedicarboxylic acid, 1-(1,1-dimethyl;1, 1-(1,1-dimethylethyl) ester, (S)-;59433-50-0;1-tert-boc-pyrrolidine-2-carboxylic acid;SY005295;Cambridge id 5211805;91716-96-0;Boc-D-proline;SCHEMBL67045;1-(tert-Butoxycarbonyl)proline #;NSC108689;AB06403;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;AKOS000120822;M03315;N-tert-Butoxycarbonyl-2-carboxypyrrolidine;(+/-)-N-(tert-Butoxycarbonyl)proline;EN300-18190;AG-205/15424478;1, 1-tert-butyl ester, L-;HMS3343H11;Chloro(di-2-norbornylphosphino)(2-dimethylaminomethylferrocen-1-yl)palladium(II);N-t-butoxycarbonylpyrrolidin-2-carboxylic acid;1,2-Pyrrolidinedicarboxylic acid, 1-(1,1-dimethylethyl) ester;HMS2397P09;BB 0241854;A26492;MFCD00520915;AM20100450;(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;FT-0600221;NSC334360;1-(t-butoxycarbonyl)pyrrolidine-2-carboxylic acid;NSC-334360;AB01652;FT-0601708;AB02540;BS-4221;CS-W014893;AKOS016042464;B4285;SY015413;HMS1609D11;FT-0601709;BP-10507;N-Boc-pyrolidin-2-carboxylic acid;N-t-butoxycarbonyl-DL-proline;SY020387;SMR000069145;(RS)-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester;CHEMBL1702785;MLS000060917;NSC-164660;NSC-108689;NSC164660;F0918-0581;A832313;BBL001494;DB-007842;STK120235;Pyrrolidine-1,2-dicarboxylic acid 1-tert-butylester;N-alpha-t-Butyloxycarbonyl-L-proline;Boc-proline;ALBB-006185;(S)-1,2-Pyrrolidinedicarboxylic acid 1-(1,1-dimethylethyl) ester; N-alpha-tert-BOC-L-proline; Boc-Pro-OH;

标识符

MDL:
MFCD00520915
InChIKey:
ZQEBQGAAWMOMAI-UHFFFAOYSA-N
Inchi:
1S/C10H17NO4/c1-10(2,3)15-9(14)11-6-4-5-7(11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)
SMILES:
O(C(C)(C)C)C(N1CCCC1C(=O)O)=O

N-Boc-DL-脯氨酸(59433-50-0)物化性质

实验特性

  • LogP : 1.40840
  • PSA : 66.84000
  • 沸点 : 337.2℃ at 760 mmHg
  • 熔点 : 98-102°C
  • 闪点 : 157.7℃
  • 溶解度 : 微溶 (5.2 g/L) (25 ºC),
  • 颜色与性状 : White to Yellow Solid
  • 密度 : 1.201±0.06 g/cm3 (20 ºC 760 Torr),

计算特性

  • 精确分子量 : 215.11600
  • 氢键供体数量 : 1
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 3
  • 同位素质量 : 215.116
  • 重原子数量 : 15
  • 复杂度 : 269
  • 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) : 1.5
  • 拓扑分子极性表面积 : 66.8

N-Boc-DL-脯氨酸(59433-50-0)参考资料

Reaxys RN:
Beilstein:
MFCD00520915
PubChem CID:

N-Boc-DL-脯氨酸(59433-50-0) MSDS

基础信息

  Material Safety Data Sheet

Section 1. Identi?cation of the substance
    Product Name:      Boc-DL-Pro-OH    
    Synonyms:

Section 2. Hazards identi?cation
    Harmful by inhalation, in contact with skin, and if swallowed.

Section 3. Composition/information on ingredients.
    Ingredient name:        Boc-DL-Pro-OH    
    CAS number:        59433-50-0    

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.
    Store in closed vessels.
    Storage:

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    
    No data
    Melting point:
    Flash point:        No data    
    Density:        No data    
    Molecular formula:        C10H17NO4    
    Molecular weight:        215.2    

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