3-Ethyl-4-methyl-3-pyrroline-2-one - ≥98%(HPLC) , CAS No.766-36-9

CAS: 766-36-9 Cat. No.: E135294 Formula: C₇H₁₁NO Peso molecolare: 125.17 Numero EC: 616-364-4

GRADE & PURITY ≥98%(HPLC)

Synonyms

SY032675 | YCTNTSVMJWIYTQ-UHFFFAOYSA-N | 3-Ethyl-4-methyl-2-oxopyrroline | FT-0667991 | 2H-Pyrrol-2-one, 3-ethyl-1,5-dihydro-4-methyl- | 3-Ethyl-4-methyl-3-pyrrolin-2-one | 3-Ethyl-4-methyl-3-pyrrolin-2-one, 97% | FT-0600899 | YCTNTSVMJWIYTQ-UHFFFAOYSA- |

Storage

Room temperature

Shipped In

Normal

Panoramica

Product Description：
3-Ethyl-4-methyl-3-pyrrolin-2-one, a five-membered α,β-unsaturated lactam derivative, has various applications in medicinal chemistry. It can be synthesized by employing following as starting materials:allylamine, via palladium(II)-assisted cyclization；4-methoxybenzylamine, via a ring-closing-metathesis strategy；3-ethyl-1-(4-methoxybenzyl)-4-methyl-1,5-dihydro-2H-pyrrol-2- one.

Product Application：

3-Ethyl-4-methyl-3-pyrrolin-2-one is used as an intermediate for the manufacture of medicines. It is used for the preparation of Glimepiride, and its intermediates and as antidiabetic agents. 

Specifications

Sinonimi

SY032675 | YCTNTSVMJWIYTQ-UHFFFAOYSA-N | 3-Ethyl-4-methyl-2-oxopyrroline | FT-0667991 | 2H-Pyrrol-2-one, 3-ethyl-1,5-dihydro-4-methyl- | 3-Ethyl-4-methyl-3-pyrrolin-2-one | 3-Ethyl-4-methyl-3-pyrrolin-2-one, 97% | FT-0600899 | YCTNTSVMJWIYTQ-UHFFFAOYSA- |

Specifiche e purezza

≥98%(HPLC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%(HPLC)

Nomi e identificatori

Pubchem Sid

488191651

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488191651

Sorrisi canonici

CCC1=C(CNC1=O)C

IUPAC Name

4-ethyl-3-methyl-1,2-dihydropyrrol-5-one

InChIKey

YCTNTSVMJWIYTQ-UHFFFAOYSA-N

INCHI

1S/C7H11NO/c1-3-6-5(2)4-8-7(6)9/h3-4H2,1-2H3,(H,8,9)

Isomeri SMILES

CCC1=C(CNC1=O)C

WGK Germania

3

Peso molecolare

125.17

Reaxy-Rn

109109

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=109109&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyrrolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyrrolines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolines
• Alternative Parents: Secondary carboxylic acid amides Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Pyrroline - Secondary carboxylic acid amide - Lactam - Carboxamide group - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as pyrrolines. These are compounds containing a pyrroline ring, which is a five-member unsaturated aliphatic ring with one nitrogen atom and four carbon atoms.
• 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: Slightly soluble in water.
• Sensibilità: Moisture sensitive
• Punto di ebollizione (°C): 279ºC at 760 mmHg
• Punto di fusione (°C): 102.0 to 106.0 °C
• Peso molecolare: 125.170 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 125.084 Da
• Monoisotopic Mass: 125.084 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 170.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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

Domande frequenti

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 766-36-9, the molecular formula is C7H11NO, and the molecular weight is 125.17 g/mol. InChIKey YCTNTSVMJWIYTQ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.