2(3H)-Benzofuranone, 3,3-dimethyl-

Base Information

• Chemical Name: 2(3H)-Benzofuranone, 3,3-dimethyl-
• CAS No.: 13524-76-0
• Molecular Formula: C10H10O2
• Molecular Weight: 162.188
• Hs Code.: 2932209090
• DSSTox Substance ID: DTXSID20159286
• Nikkaji Number: J112.545A
• Wikidata: Q83027593
• Mol file: 13524-76-0.mol

Synonyms:2(3H)-Benzofuranone, 3,3-dimethyl-;13524-76-0;3,3-Dimethyl-2(3H)-benzofuranone;3,3-dimethyl-1-benzofuran-2-one;3,3-Dimethylbenzofuran-2(3H)-one;SCHEMBL377211;DTXSID20159286;3,3-Dimethyl-3H-benzofuran-2-one;2,3-Dihydro-3,3-dimethylbenzofuran-2-one;3,3-Dimethyl-1-benzofuran-2(3H)-one #;CS-0437175;3,3-dimethyl-2,3-dihydro-1-benzofuran-2-one;EN300-197063

Chemical Property of 2(3H)-Benzofuranone, 3,3-dimethyl-

Chemical Property:

• Vapor Pressure: 0.0707mmHg at 25°C
• Boiling Point: 229.1°C at 760 mmHg
• Flash Point: 86.7°C
• PSA: 26.30000
• Density: 1.122g/cm³
• LogP: 1.88320
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 162.068079557
• Heavy Atom Count: 12
• Complexity: 208

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C2=CC=CC=C2OC1=O)C

Technology Process of 2(3H)-Benzofuranone, 3,3-dimethyl-

There total 14 articles about 2(3H)-Benzofuranone, 3,3-dimethyl- 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: 87.0%

2-methyl-2-phenylpropionic acid (826-55-1) → 2,3-Dihydro-3,3-dimethylbenzofuran-2-one (13524-76-0)

Guidance literature:

With [bis(acetoxy)iodo]benzene; potassium acetate; palladium diacetate; N-acetylglycine; In tert-butyl alcohol; at 100 ℃; for 12h; Reagent/catalyst; Temperature; Sealed tube;

DOI:10.1021/ja311259x

Reference yield: 80.0%

→ 2,3-Dihydro-3,3-dimethylbenzofuran-2-one (13524-76-0)

Guidance literature:

Reference yield: 75.0%

1-(2-hydroxyphenyl)-2-methylpropan-1-one (6640-69-3) → 2,3-Dihydro-3,3-dimethylbenzofuran-2-one (13524-76-0) + 2,2-dimethylbenzofuran-3(2H)-one (16748-90-6)

Guidance literature:

With copper dichloride; In ethylene glycol; at 150 ℃; for 1h;

DOI:10.1246/cl.2007.332

upstream raw materials:

2,3-dihydro-3,3-dimethyl-2-methylenebenzofuran

benzofuran-2(3H)-one

methyl iodide

2-(2-Hydroxyphenyl)isobutyric Acid

Downstream raw materials:

N-cyclopropyl-3-[3-[[1-[2-[2-[[(2S)-2-hydroxypropyl]amino]ethoxy]phenyl]cyclopropyl]amino]-2-oxo-1(2H)-pyrazinyl]-4-methyl-benzamide

3-[5-bromo-3-[[1-methyl-1-[2-(phenylmethoxy)phenyl]ethyl]amino]-2-oxo-1(2H)-pyrazinyl]-N-cyclopropyl-5-fluoro-4-methyl-benzamide

N-cyclopropyl-3-[3-[[1-[2-[2-(ethylamino)ethoxy]phenyl]-1-methylethyl]amino]-2-oxo-1(2H)-pyrazinyl]-5-fluoro-4-methyl-benzamide

3-[5-bromo-3-[[1-methyl-1-[2-(phenylmethoxy)phenyl]ethyl]amino]-2-oxo-1(2H)-pyrazinyl]-5-fluoro-4-methyl-benzoic acid, ethyl ester