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

CAS: 2133-40-6 Cat. No.: P109007 Formula: C₆H₁₁NO₂•HCl Peso molecolare: 165.62 Beilstein Registry Number: 3596045 Numero 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

Panoramica

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

Sinonimi

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

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

508810673

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508810673

Sorrisi canonici

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

Isomeri SMILES

COC(=O)[C@@H]1CCCN1.Cl

WGK Germania

3

Peso molecolare

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
    • 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 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Chloroform, Methanol (Slightly), Water (slightly)
• Sensibilità: heat sensitive ,Moisture sensitive
• Rotazione specifica [α]: -31.5 ° (C=1, H2O)
• Punto di ebollizione (°C): 55 °C/11 mmHg
• Punto di fusione (°C): 68-78°C
• Peso molecolare: 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