1-(2H-chromen-3-yl)ethanone

Base Information

• Chemical Name: 1-(2H-chromen-3-yl)ethanone
• CAS No.: 51593-70-5
• Molecular Formula: C11H10O2
• Molecular Weight: 174.199
• Hs Code.: 2914190090
• European Community (EC) Number: 825-920-7
• DSSTox Substance ID: DTXSID00199544
• Nikkaji Number: J132.048C
• Wikidata: Q83072450
• Mol file: 51593-70-5.mol

Synonyms:1-(2H-chromen-3-yl)ethanone;51593-70-5;3-ACETYL-2H-CHROMENE;1-(2H-chromen-3-yl)ethan-1-one;2H-1-Benzopyran-3-yl methyl ketone;2H-1-BENZOPYRAN, 3-ACETYL-;BRN 1682021;Ethanone, 1-(2H-1-benzopyran-3-yl)-;1-(2H-1-Benzopyran-3-yl)ethanone;Ketone, 2H-1-benzopyran-3-yl methyl;3-ACETYL-2H-CHROME;3-acetyl-2H-1-benzopyran;3-acetylchromene;SCHEMBL9058393;1-(2H-chromen-3-yl)-ethanone;DTXSID00199544;BCA59370;MFCD01662270;AKOS002678328;AC-9081;AS-35538;LS-38985;CS-0199862;EN300-366686;A912979;Z1198157399

Chemical Property of 1-(2H-chromen-3-yl)ethanone

Chemical Property:

• Vapor Pressure: 0.000392mmHg at 25°C
• Refractive Index: 1.5250 (estimate)
• Boiling Point: 317.2°C at 760 mmHg
• Flash Point: 151.1°C
• PSA: 26.30000
• Density: 1.162g/cm³
• LogP: 2.05140
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 174.068079557
• Heavy Atom Count: 13
• Complexity: 243

Purity/Quality:

97% ^*data from raw suppliers

1-(2H-Chromen-3-yl)ethanone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC2=CC=CC=C2OC1

Technology Process of 1-(2H-chromen-3-yl)ethanone

There total 7 articles about 1-(2H-chromen-3-yl)ethanone 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: 93.0%

2-(but-2-yn-1-yloxy)benzaldehyde (224317-66-2) → 3-acetyl-2H-1-benzopyran (51593-70-5)

Guidance literature:

With silver hexafluoroantimonate; In tetrahydrofuran; 1,2-dichloro-ethane; at 80 ℃;

DOI:10.1021/ol050838x

Reference yield: 81.0%

salicylaldehyde (90-02-8) + methyl vinyl ketone (78-94-4,25038-87-3) → 3-acetyl-2H-1-benzopyran (51593-70-5)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; water; In chloroform; at 20 ℃; for 168h;

DOI:10.1039/b001148g

Reference yield: 73.0%

2-methyl-benzyl alcohol (89-95-2) + methyl vinyl ketone (78-94-4,25038-87-3) → 3-acetyl-2H-1-benzopyran (51593-70-5)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; In water; at 20 ℃; for 2h;

DOI:10.1081/SCC-100104009

upstream raw materials:

2H-chromene-3-carbonitrile

methylmagnesium bromide

salicylaldehyde

methyl vinyl ketone

Downstream raw materials:

C₁₈H₁₈N₂O₃S