Boc-L-prolinal - ≥97% , CAS No.69610-41-9

CAS: 69610-41-9 Cat. No.: B102428 Fórmula: C₁₀H₁₇NO₃ Peso molecular: 199.25 Número EC: 627-548-9

GRADE & PURITY ≥97%

Synonyms

n-boc-(s)-prolinal | AKOS015841252 | tert-butyl (25)-2-formylpyrrolidine-1-carboxylate | A9208 | AKOS005146339 | (2S)-1-(tert-Butoxycarbonyl)pyrrolidine-2-carbaldehyde | MFCD00801206 | t-butoxycarbonyl-L-prolinal | (S)-1-Boc-2-Formylpyrrolidine | N-Boc-L-

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

Boc-L-Prolinal is a proline with a Boc protecting group, which can be used to synthesize biologically active peptide mimetics.

Specifications

Sinónimos

n-boc-(s)-prolinal | AKOS015841252 | tert-butyl (25)-2-formylpyrrolidine-1-carboxylate | A9208 | AKOS005146339 | (2S)-1-(tert-Butoxycarbonyl)pyrrolidine-2-carbaldehyde | MFCD00801206 | t-butoxycarbonyl-L-prolinal | (S)-1-Boc-2-Formylpyrrolidine | N-Boc-L-

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at -20°C,Argon charged

Enviado en

Ice chest + Ice pads

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: 504761181
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761181
• Sonrisas canónicas: CC(C)(C)OC(=O)N1CCCC1C=O
• IUPAC Name: tert-butyl (2S)-2-formylpyrrolidine-1-carboxylate
• InChIKey: YDBPZCVWPFMBDH-QMMMGPOBSA-N
• INCHI: 1S/C10H17NO3/c1-10(2,3)14-9(13)11-6-4-5-8(11)7-12/h7-8H,4-6H2,1-3H3/t8-/m0/s1
• Isómeros SMILES: CC(C)(C)OC(=O)N1CCC[C@H]1C=O
• WGK Alemania: 3
• Peso molecular: 199.25
• Reaxy-Rn: 1456830
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1456830&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 Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Aldehydes
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Pyrrolidine carboxylic acid - Carbamic acid ester - Carbonic acid derivative - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aldehyde - 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: Slightly soluble water. Soluble in chloroform
• Sensibilidad: air sensitive ；heat sensitive
• Índice de refracción: 1.462
• Punto de inflamación (°F): 134.6 °F
• Punto de inflamación (°C): >110°C
• Punto de ebullición (°C): 211°C
• Peso molecular: 199.250 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 199.121 Da
• Monoisotopic Mass: 199.121 Da
• Topological Polar Surface Area: 46.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 232.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1