1-tert-butyl 2-methyl (2S,4S)-4-[(tert-butyldimethylsilyl)oxy]pyrrolidine-1,2-dicarboxylate - ≥97% , CAS No.367966-45-8

CAS: 367966-45-8 Cat. No.: T635897 Peso molecular: 359.53 PubChem CID: 11371823

GRADE & PURITY ≥97%

Synonyms

367966-45-8 | (2S,4S)-1-tert-Butyl 2-methyl 4-((tert-butyldimethylsilyl)oxy)pyrrolidine-1,2-dicarboxylate | 1-O-tert-Butyl 2-O-methyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate | 1-tert-butyl 2-methyl (2S,4S)-4-[(tert-butyldimet

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

367966-45-8 | (2S, 4S)-1-tert-Butyl 2-methyl 4-((tert-butyldimethylsilyl)oxy)pyrrolidine-1, 2-dicarboxylate | 1-O-tert-Butyl 2-O-methyl (2S, 4S)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1, 2-dicarboxylate | 1-tert-butyl 2-methyl (2S, 4S)-4-[(tert-butyldimet

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)OC(=O)N1CC(CC1C(=O)OC)O[Si](C)(C)C(C)(C)C
• IUPAC Name: 1-O-tert-butyl 2-O-methyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate
• InChIKey: GDGVOGGJKRMIOF-STQMWFEESA-N
• INCHI: 1S/C17H33NO5Si/c1-16(2,3)22-15(20)18-11-12(10-13(18)14(19)21-7)23-24(8,9)17(4,5)6/h12-13H,10-11H2,1-9H3/t12-,13-/m0/s1
• Isómeros SMILES: CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)OC)O[Si](C)(C)C(C)(C)C
• PubChem CID: 11371823
• Peso molecular: 359.53

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid esters
• Alternative Parents: Proline and derivatives Pyrrolidine carboxylic acids Trialkylheterosilanes Methyl esters Carbamate esters Silyl ethers Organic metalloid salts Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-amino acid ester - Proline or derivatives - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Trialkylheterosilane - Methyl ester - Carbamic acid ester - Pyrrolidine - Carboxylic acid ester - Silyl ether - Organoheterosilane - Monocarboxylic acid or derivatives - Azacycle - Organic metalloid salt - Organoheterocyclic compound - Organic nitrogen compound - Organosilicon compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Organic oxide - Organic oxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
• 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: 359.500 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 359.213 Da
• Monoisotopic Mass: 359.213 Da
• Topological Polar Surface Area: 65.099 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 478.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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

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