(R)-Methyl 1-tritylaziridine-2-carboxylate - ≥97% , CAS No.160233-42-1

CAS: 160233-42-1 Cat. No.: R587480 Peso molecular: 343.42 Número EC: 852-131-5

GRADE & PURITY ≥97%

Synonyms

DTXSID10448595 | methyl (2R)-1-tritylaziridine-2-carboxylate | (R)-1-Trityl-aziridine-2-carboxylic acid methyl ester | methyl (2R)-1-(triphenylmethyl)aziridine-2-carboxylate | AS-38097 | 2-Aziridinecarboxylic acid, 1-(triphenylmethyl)-, methyl ester, (2R)

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Sinónimos

DTXSID10448595 | methyl (2R)-1-tritylaziridine-2-carboxylate | (R)-1-Trityl-aziridine-2-carboxylic acid methyl ester | methyl (2R)-1-(triphenylmethyl)aziridine-2-carboxylate | AS-38097 | 2-Aziridinecarboxylic acid, 1-(triphenylmethyl)-, methyl ester, (2R)

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Desiccated

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: 504765743
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765743
• Sonrisas canónicas: COC(=O)C1CN1C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
• IUPAC Name: methyl (2R)-1-tritylaziridine-2-carboxylate
• InChIKey: QGSITPKXYQEFIR-CILPGNKCSA-N
• INCHI: 1S/C23H21NO2/c1-26-22(25)21-17-24(21)23(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21H,17H2,1H3/t21-,24?/m1/s1
• Isómeros SMILES: COC(=O)[C@H]1CN1C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
• CAS alternativo: 160233-42-1
• Peso molecular: 343.42
• Reaxy-Rn: 92247
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=92247&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Triphenyl compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Triphenyl compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Triphenyl compounds
• Alternative Parents: Alpha amino acid esters Aralkylamines Benzene and substituted derivatives Aziridinecarboxylic acids Methyl esters Trialkylamines Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Triphenyl compound - Alpha-amino acid ester - Alpha-amino acid or derivatives - Aralkylamine - Aziridinecarboxylic acid - Monocyclic benzene moiety - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Aziridine - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as triphenyl compounds. These are aromatic compounds containing a triphenyl moiety.
• 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

• Peso molecular: 343.400 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 343.157 Da
• Monoisotopic Mass: 343.157 Da
• Topological Polar Surface Area: 29.300 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 427.000
• 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