1-(2,5-Dihydroxy-2,3-dimethyl-2H-pyrrol-4-yl)ethan-1-one

Base Information

• Chemical Name: 1-(2,5-Dihydroxy-2,3-dimethyl-2H-pyrrol-4-yl)ethan-1-one
• CAS No.: 98593-79-4
• Molecular Formula: C₈H₁₁NO₃
• Molecular Weight: 169.18
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID30913174
• Wikidata: Q82883724
• Mol file: 98593-79-4.mol

Synonyms:DTXSID30913174;1-(2,5-Dihydroxy-2,3-dimethyl-2H-pyrrol-4-yl)ethan-1-one

Chemical Property of 1-(2,5-Dihydroxy-2,3-dimethyl-2H-pyrrol-4-yl)ethan-1-one

Chemical Property:

• Appearance/Colour: LIGHT BEIGE FINE CRYSTALLINE POWDER
• Vapor Pressure: 9.33E-10mmHg at 25°C
• Melting Point: 172-174 °C
• Refractive Index: 1.5100 (estimate)
• Boiling Point: 444.2 °C at 760 mmHg
• Flash Point: 222.4 °C
• PSA: 66.40000
• Density: 1.233 g/cm³
• LogP: 0.05900
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 169.07389321
• Heavy Atom Count: 12
• Complexity: 293

Purity/Quality:

97% ^*data from raw suppliers

3-ACETYL-4,5-DIMETHYL-5-HYDROXY-1,5-DIHYDRO-2H-PYRROL-2-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=O)NC1(C)O)C(=O)C
• Isomeric SMILES: CC1=C(C(=O)N[C@]1(C)O)C(=O)C

Technology Process of 1-(2,5-Dihydroxy-2,3-dimethyl-2H-pyrrol-4-yl)ethan-1-one

There total 1 articles about 1-(2,5-Dihydroxy-2,3-dimethyl-2H-pyrrol-4-yl)ethan-1-one which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

acetoacetamido (5977-14-0) + dimethylglyoxal (431-03-8) → 3-acetyl-5-hydroxy-4,5-dimethyl-1,5-dihydro-pyrrol-2-one (98593-79-4)

Guidance literature:

With sodium hydroxide; water;

DOI:10.1021/ja01525a063

Reference yield:

3-acetyl-5-hydroxy-4,5-dimethyl-1,5-dihydro-pyrrol-2-one (98593-79-4) + benzyl alcohol (100-51-6,185532-71-2) → 3-Acetyl-5-benzyloxy-4,5-dimethyl-1,5-dihydro-pyrrol-2-one

Guidance literature:

With camphor-10-sulfonic acid; In dichloromethane;

DOI:10.1021/jm960719a

Reference yield:

3-acetyl-5-hydroxy-4,5-dimethyl-1,5-dihydro-pyrrol-2-one (98593-79-4) + 2-phenylethanol (60-12-8) → 3-Acetyl-4,5-dimethyl-5-phenethyloxy-1,5-dihydro-pyrrol-2-one

Guidance literature:

With camphor-10-sulfonic acid; In dichloromethane;

DOI:10.1021/jm960719a

upstream raw materials:

acetoacetamido

dimethylglyoxal