BOC-L-Hydroxyproline methyl ester - ≥98% , CAS No.74844-91-0

CAS: 74844-91-0 Cat. No.: B109229 Fórmula: C₁₁H₁₉NO₅ Peso molecular: 245.27 Número CE: 616-143-2

GRADE & PURITY ≥98%

Synonyms

AKOS005258633 | HY-65039 | 1-t-butyl 2-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate | 1-tert-Butyl 2-methyl (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate | rel-Boc-Hyp-OMe | methyl (2S, 4R)-1-tert-butoxycarbonyl-4-hydroxy-2-pyrrolidinylcarboxyla

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

AKOS005258633 | HY-65039 | 1-t-butyl 2-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate | 1-tert-Butyl 2-methyl (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate | rel-Boc-Hyp-OMe | methyl (2S, 4R)-1-tert-butoxycarbonyl-4-hydroxy-2-pyrrolidinylcarboxyla

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 504761217
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761217
• Sorrisos canónicos: CC(C)(C)OC(=O)N1CC(CC1C(=O)OC)O
• IUPAC Name: 1-O-tert-butyl 2-O-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate
• InChIKey: MZMNEDXVUJLQAF-SFYZADRCSA-N
• INCHI: 1S/C11H19NO5/c1-11(2,3)17-10(15)12-6-7(13)5-8(12)9(14)16-4/h7-8,13H,5-6H2,1-4H3/t7-,8+/m1/s1
• SMILES isoméricas: CC(C)(C)OC(=O)N1C[C@@H](C[C@H]1C(=O)OC)O
• WGK Alemanha: 3
• Peso molecular: 245.27
• Reaxy-Rn: 11460929
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11460929&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe 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
• Classe: 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 Methyl esters Carbamate esters Secondary alcohols Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen 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 - Pyrrolidine - Methyl ester - Carbamic acid ester - Carboxylic acid ester - Carbonic acid derivative - Secondary alcohol - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Alcohol - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Aliphatic heteromonocyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: Soluble in chloroform, dichloromethane and ethyl acetate.
• Rotação específica [α]: -79° (C=1,MeOH)
• Ponto de ebulição (°C): 132 °C
• Ponto de fusão (°C): 91-96°C
• Peso molecular: 245.270 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 245.126 Da
• Monoisotopic Mass: 245.126 Da
• Topological Polar Surface Area: 76.100 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 309.000
• 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