Methyl (2S)-glycidate - ≥98% , CAS No.118712-39-3

CAS: 118712-39-3 Cat. No.: S179901 Peso molecular: 102.1 Número EC: 601-557-8

GRADE & PURITY ≥98%

Synonyms

J-003875 | methyl (S)-glycidate | YKNYRRVISWJDSR-VKHMYHEASA-N | 1-(3-Aminopropyl)adamantanehydrochloride | SCHEMBL839706 | AC2359 | Methyl (2S)-2,3-epoxypropanoate | Methyl(2S)-glycidate | Methyl (2S)-glycidate, optical purity ee: 99% (GLC), 98% | (S)-Met

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

J-003875 | methyl (S)-glycidate | YKNYRRVISWJDSR-VKHMYHEASA-N | 1-(3-Aminopropyl)adamantanehydrochloride | SCHEMBL839706 | AC2359 | Methyl (2S)-2, 3-epoxypropanoate | Methyl(2S)-glycidate | Methyl (2S)-glycidate, optical purity ee: 99% (GLC), 98% | (S)-Met

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

• Pubchem Sid: 504765767
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765767
• Sonrisas canónicas: COC(=O)C1CO1
• IUPAC Name: methyl (2S)-oxirane-2-carboxylate
• InChIKey: YKNYRRVISWJDSR-VKHMYHEASA-N
• INCHI: 1S/C4H6O3/c1-6-4(5)3-2-7-3/h3H,2H2,1H3/t3-/m0/s1
• Isómeros SMILES: COC(=O)[C@@H]1CO1
• WGK Alemania: 3
• Peso molecular: 102.1
• Reaxy-Rn: 1281012
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1281012&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Epoxides
      • Subclass Oxirane carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Epoxides
• Subclass: Oxirane carboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxirane carboxylic acids
• Alternative Parents: Methyl esters Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oxirane carboxylic acid - Methyl ester - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as oxirane carboxylic acids. These are compounds containing an oxirane ring bearing a carboxylic acid group.
• 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

• Índice de refracción: n20/D 1.42 (lit.)
• Rotación específica [α]: [α]20/D −32°, c = 1 in chloroform
• Punto de inflamación (°F): 161.6 °F
• Punto de inflamación (°C): 72 °C
• Peso molecular: 102.090 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 102.032 Da
• Monoisotopic Mass: 102.032 Da
• Topological Polar Surface Area: 38.800 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 88.900
• 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

Referencias

1. Shengqiang Zhou, Tianliang Lu, Lipeng Zhou, Xiaomei Yang.  (2024)  Au@Snβ zeolite as stable and active catalyst for the conversion of glycerol to methyl lactate.  JOURNAL OF CATALYSIS,      [PMID:] [10.1016/j.jcat.2024.115913]