L-Proline methyl ester hydrochloride - ≥98% , CAS No.2133-40-6

CAS: 2133-40-6 Cat. No.: P109007 Peso molecular: 165.62 Beilstein Registry Number: 3596045 Número EC: 218-363-0

GRADE & PURITY ≥98%

Synonyms

AM20090186 | L-proline methylesterhydrochloride | Methyl L-prolinate hydrochloride | (-)-PROLINE METHYL ESTER HYDROCHLORIDE | (S)-pyrrolidine-2-carboxylic acid methyl ester, hydrochloride salt | L-Proline methyl ester hydrochloride | Methyl L-prolinate HC

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

application：

L-Proline methyl ester hydrochloride can be used as:

A building block in peptide synthesis.

A catalyst to synthesize 3,4-dihydropyrimidin-2-(1H)-ones via Biginelli condensation reaction with aryl aldehydes, methyl acetoacetate, and urea.

A reactant to prepare prolylproline. 

Specifications

Sinónimos

AM20090186 | L-proline methylesterhydrochloride | Methyl L-prolinate hydrochloride | (-)-PROLINE METHYL ESTER HYDROCHLORIDE | (S)-pyrrolidine-2-carboxylic acid methyl ester, hydrochloride salt | L-Proline methyl ester hydrochloride | Methyl L-prolinate HC

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: COC(=O)C1CCCN1.Cl
• IUPAC Name: methyl (2S)-pyrrolidine-2-carboxylate;hydrochloride
• InChIKey: HQEIPVHJHZTMDP-JEDNCBNOSA-N
• INCHI: 1S/C6H11NO2.ClH/c1-9-6(8)5-3-2-4-7-5;/h5,7H,2-4H2,1H3;1H/t5-;/m0./s1
• Isómeros SMILES: COC(=O)[C@@H]1CCCN1.Cl
• WGK Alemania: 3
• Peso molecular: 165.62
• Beilstein: 3596045
• Reaxy-Rn: 4238029
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4238029&ln=

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 Methyl esters Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrochlorides 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 - Carboxylic acid ester - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Secondary amine - Azacycle - Organoheterocyclic compound - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Carbonyl group - Organic oxygen compound - Hydrochloride - 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

• Solubilidad: Chloroform, Methanol (Slightly), Water (slightly)
• Sensibilidad: heat sensitive ,Moisture sensitive
• Rotación específica [α]: -31.5 ° (C=1, H2O)
• Punto de ebullición (°C): 55 °C/11 mmHg
• Punto de fusión (°C): 68-78°C
• Peso molecular: 165.620 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 165.056 Da
• Monoisotopic Mass: 165.056 Da
• Topological Polar Surface Area: 38.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 114.000
• 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: 2

XLogP3

Referencias

1. Jiahe Huang, Zhengjin Zhou, Chunhong Zhang, Chao Wang, Yanli Zhou, Lijia Liu, Junqing Li, Toshifumi Satoh, Yoshio Okamoto.  (2023)  Hybridization of helical poly(phenylacetylene)s bearing L-proline tripeptide pendants into porous silica microspheres as a solvent-tolerable chiral stationary phase for liquid chromatography.  ANALYST,  148  (8): (1877-1886).  [PMID:36960700] [10.1039/D3AN00061C]

2. Luyao Zheng, Zhiyuan Zhao, Ye Yang, Yaming Li, Chengxiao Wang.  (2020)  Novel skin permeation enhancers based on amino acid ester ionic liquid: Design and permeation mechanism.  INTERNATIONAL JOURNAL OF PHARMACEUTICS,      [PMID:31953082] [10.1016/j.ijpharm.2020.119031]