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

CAS: 118712-39-3 Cat. No.: S179901 Formule: C₄H₆O₃ Poids moléculaire: 102.1 Numéro CE: 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

Synonymes

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

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 504765767
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765767
• Sourires canoniques: 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
• Isomères SMILES: COC(=O)[C@@H]1CO1
• WGK Allemagne: 3
• Poids moléculaire: 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
    • Classe Epoxides
      • Subclass Oxirane carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Indice de réfraction: n20/D 1.42 (lit.)
• Rotation spécifique [α]: [α]20/D −32°, c = 1 in chloroform
• Point d'éclair (°F): 161.6 °F
• Point d'éclair (°C): 72 °C
• Poids moléculaire: 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

Références

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]