3(2H)-Benzofuranone, 6-methyl-

Base Information

• Chemical Name: 3(2H)-Benzofuranone, 6-methyl-
• CAS No.: 20895-41-4
• Molecular Formula: C9H8O2
• Molecular Weight: 148.161
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID70943157
• Nikkaji Number: J103.250J
• Wikidata: Q82920205
• Mol file: 20895-41-4.mol

Synonyms:20895-41-4;6-methylbenzofuran-3(2H)-one;6-methyl-1-benzofuran-3-one;3(2H)-Benzofuranone, 6-methyl-;6-METHYL-3(2H)-BENZOFURANONE;6-methyl-2,3-dihydro-1-benzofuran-3-one;SCHEMBL2056164;DTXSID70943157;TQP1528;6-Methyl-1-benzofuran-3(2H)-one;AM9235;MFCD15143962;AKOS017515925;6-Methyl-1-benzofuran-3(2H)-one #;AC-31644;SY058301;CS-0437179;FT-0760766;EN300-205572;Y14103;Z1255397223

Chemical Property of 3(2H)-Benzofuranone, 6-methyl-

Chemical Property:

• Vapor Pressure: 0.00288mmHg at 25°C
• Boiling Point: 285oC at 760 mmHg
• Flash Point: 138.6oC
• PSA: 26.30000
• Density: 1.211g/cm3
• LogP: 1.57010
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 148.052429494
• Heavy Atom Count: 11
• Complexity: 176

Purity/Quality:

97% ^*data from raw suppliers

3(2H)-Benzofuranone,6-methyl- ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)C(=O)CO2

Technology Process of 3(2H)-Benzofuranone, 6-methyl-

There total 16 articles about 3(2H)-Benzofuranone, 6-methyl- 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: 86.0%

2-ethynyl-5-methylphenol → 6-methylbenzofuran-3(2H)-one (20895-41-4)

Guidance literature:

With 2-chloropyridine-N-oxide; mercuric triflate; In dichloromethane; at 23 ℃; for 1h;

DOI:10.1021/acs.orglett.0c01096

Reference yield: 47.0%

methyl 2-(2-methoxy-2-oxoethoxy)-4-methylbenzoate → 6-methylbenzofuran-3(2H)-one (20895-41-4)

Guidance literature:

With potassium phosphate; In methanol; N,N-dimethyl-formamide; at 150 ℃; for 0.5h; Microwave irradiation;

DOI:10.17344/acsi.2019.5104

Reference yield: 40.4%

2‐bromo‐1‐(2‐hydroxy‐4‐methylphenyl)ethanone (144219-74-9) → 6-methylbenzofuran-3(2H)-one (20895-41-4)

Guidance literature:

With potassium fluoride; In N,N-dimethyl-formamide; for 0.25h; Ambient temperature;

upstream raw materials:

2-(m-tolyloxy)acetyl chloride

2‐bromo‐1‐(2‐hydroxy‐4‐methylphenyl)ethanone

4'-hydroxy-2'-methylacetophenone

3-acetoxytoluene

Downstream raw materials:

(6-methyl-1-benzofuran-3-yl)acetic acid

6-Methyl-benzofuran-3-carbaldehyde

ethyl 2-(2-(2,4-dichlorophenyl)hydrazono)-2-(6-methyl-3-oxo-2,3-dihydrobenzofuran-2-yl)acetate

ethyl ester of 1-(2,4-dichlorophenyl)-6-methyl-1H-benzofuro[3,2-c]pyrazole-3-carboxylic acid