N-Boc-L-proline methyl ester - ≥96% , CAS No.59936-29-7

CAS: 59936-29-7 Cat. No.: N136417 Fórmula: C₁₁H₁₉NO₄ Peso molecular: 229.27

GRADE & PURITY ≥96%

Synonyms

METHYL (S)-N-BOC-PYRROLIDINE-2-CARBOXYLATE | (S)-N-tert-butoxycarbonylproline methyl ester | N-t-butoxycarbonyl-L-proline methyl ester | 1,2-Pyrrolidinedicarboxylicacid,2-methyl-,1-(1,1-dimethylethyl)ester,(2S)- | Boc-L-Pro-Ome | Boc-L-Proline-methyl este

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

METHYL (S)-N-BOC-PYRROLIDINE-2-CARBOXYLATE | (S)-N-tert-butoxycarbonylproline methyl ester | N-t-butoxycarbonyl-L-proline methyl ester | 1,2-Pyrrolidinedicarboxylicacid,2-methyl-,1-(1,1-dimethylethyl)ester,(2S)- | Boc-L-Pro-Ome | Boc-L-Proline-methyl este

Especificações e pureza

≥96%

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

≥96%

Nomes e identificadores

Pubchem Sid

504760458

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504760458

Sorrisos canónicos

CC(C)(C)OC(=O)N1CCCC1C(=O)OC

IUPAC Name

1-O-tert-butyl 2-O-methyl (2S)-pyrrolidine-1,2-dicarboxylate

InChIKey

WVDGSSCWFMSRHN-QMMMGPOBSA-N

INCHI

1S/C11H19NO4/c1-11(2,3)16-10(14)12-7-5-6-8(12)9(13)15-4/h8H,5-7H2,1-4H3/t8-/m0/s1

SMILES isoméricas

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)OC

Peso molecular

229.27

Reaxy-Rn

4686324

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4686324&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 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 - Carbamic acid ester - Methyl ester - Carboxylic acid ester - Carbonic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - 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

Mecanismos de ação

Propriedades químicas e físicas

• Sensibilidade: Heat Sensitive
• Índice de refração: 1.45
• Rotação específica [α]: -59° (C=1,CHCl3)
• Ponto de inflamação (°C): 128 °C
• Ponto de ebulição (°C): 135 °C/16 mmHg
• Peso molecular: 229.270 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 229.131 Da
• Monoisotopic Mass: 229.131 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 282.000
• 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