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

CAS: 160233-42-1 Cat. No.: R587480 Molecular Weight: 343.42 EC Number: 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

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)

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504765743
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765743
• Canonical Smiles: 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
• Isomeric SMILES: COC(=O)[C@H]1CN1C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
• Alternate CAS: 160233-42-1
• Molecular Weight: 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
    • Class Triphenyl compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 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