1-Boc-pyrrolidine-3-carboxylic acid - ≥97% , CAS No.59378-75-5

CAS: 59378-75-5 Cat. No.: B119064 Peso molecular: 215.25 Número EC: 624-954-8

GRADE & PURITY ≥97%

Synonyms

AM20100447 | Z1041114704 | FT-0601702 | methylisoamylamine | PS-4924 | PB34015 | PB12277 | 1-(tert-butoxycarbonyl)-3-pyrrolidinecarboxylic acid | PB21197 | (S)-1-Boc-3-Carboxylic Acid Pyrrolidine | 1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxy

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

AM20100447 | Z1041114704 | FT-0601702 | methylisoamylamine | PS-4924 | PB34015 | PB12277 | 1-(tert-butoxycarbonyl)-3-pyrrolidinecarboxylic acid | PB21197 | (S)-1-Boc-3-Carboxylic Acid Pyrrolidine | 1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxy

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488193168
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488193168
• Sonrisas canónicas: CC(C)(C)OC(=O)N1CCC(C1)C(=O)O
• IUPAC Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
• InChIKey: HRMRQBJUFWFQLX-UHFFFAOYSA-N
• INCHI: 1S/C10H17NO4/c1-10(2,3)15-9(14)11-5-4-7(6-11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)
• Isómeros SMILES: CC(C)(C)OC(=O)N1CCC(C1)C(=O)O
• WGK Alemania: 3
• Peso molecular: 215.25
• Reaxy-Rn: 3610437
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3610437&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrrolidines
      • Subclass Pyrrolidine carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrrolidines
• Subclass: Pyrrolidine carboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolidine carboxylic acids
• Alternative Parents: Carbamate esters Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Pyrrolidine carboxylic acid - Carbamic acid ester - Carbonic acid derivative - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrrolidine carboxylic acids. These are compounds containing a pyrrolidine ring which bears a carboxylic acid. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Solubilidad: Soluble in Chloroform
• Sensibilidad: Heat Sensitive
• Punto de fusión (°C): 135 °C
• Peso molecular: 215.250 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 215.116 Da
• Monoisotopic Mass: 215.116 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 269.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referencias

1. Rong Wang, Jin Li, Jia-Jia Chen, Yu Guo, Yue Hu, Xiao-Qi Yu, Ji Zhang.  (2024)  Cationic lipids via multi-component Passerini reaction for non-viral gene delivery.  NEW JOURNAL OF CHEMISTRY,  48  (9): (4175-4183).  [PMID:] [10.1039/D3NJ05949A]