2H-1-Benzopyran-6-carboxylic acid, 3-acetyl-2-oxo-, isopropyl ester

Base Information

• Chemical Name: 2H-1-Benzopyran-6-carboxylic acid, 3-acetyl-2-oxo-, isopropyl ester
• CAS No.: 6468-76-4
• Molecular Formula: C₁₅H₁₄O₅
• Molecular Weight: 274.273
• Hs Code.: 2932209090
• DSSTox Substance ID: DTXSID90214977
• Nikkaji Number: J41.268F
• Wikidata: Q83090901
• Mol file: 6468-76-4.mol

Synonyms:6468-76-4;BRN 1386916;3-Acetyl-6-carbisopropoxycoumarin;SC-361;2H-1-BENZOPYRAN-6-CARBOXYLIC ACID, 3-ACETYL-2-OXO-, ISOPROPYL ESTER;3-Acetyl-2-oxo-2H-1-benzopyran-6-carboxylic acid isopropyl ester;Isopropyl 3-acetyl-2-oxo-2H-chromene-6-carboxylate;DTXSID90214977;LS-39129;3-Acetyl-2-oxo-alpha-chromene-6-carboxylic acid isopropyl ester

Chemical Property of 2H-1-Benzopyran-6-carboxylic acid, 3-acetyl-2-oxo-, isopropyl ester

Chemical Property:

• Vapor Pressure: 4.77E-09mmHg at 25°C
• Boiling Point: 471.1°C at 760 mmHg
• Flash Point: 211.5°C
• PSA: 73.58000
• Density: 1.26g/cm³
• LogP: 2.56080
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 274.08412354
• Heavy Atom Count: 20
• Complexity: 463

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC(=O)C1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)C

Technology Process of 2H-1-Benzopyran-6-carboxylic acid, 3-acetyl-2-oxo-, isopropyl ester

There total 1 articles about 2H-1-Benzopyran-6-carboxylic acid, 3-acetyl-2-oxo-, isopropyl ester 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:

→ 3-Acetyl-6-carboisopropoxy-cumarin (6468-76-4)

Guidance literature:

3-Formyl-4-hydroxy-benzoesaeureisopropylester, Acetessigsaeureethylester, Δ;