6,6-dimethyl-6,7-dihydro-1-benzofuran-4(5H)-one

Base Information

• Chemical Name: 6,6-dimethyl-6,7-dihydro-1-benzofuran-4(5H)-one
• CAS No.: 76230-27-8
• Molecular Formula: C10H12O2
• Molecular Weight: 164.204
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID00364114
• Nikkaji Number: J887.344E
• Wikidata: Q82147891
• Mol file: 76230-27-8.mol

Synonyms:76230-27-8;6,6-dimethyl-6,7-dihydro-1-benzofuran-4(5H)-one;6,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuran-4-one;6,6-dimethyl-5,7-dihydro-1-benzofuran-4-one;6,6-Dimethyl-6,7-dihydrobenzofuran-4(5H)-one;SCHEMBL9623158;DTXSID00364114;MFCD03011697;AKOS000267904;BS-36191;CS-0259420;EN300-73285;4-oxo-6,6-dimethyl-4,5,6,7-tetrahydrobenzofuran;Z1157725438

Chemical Property of 6,6-dimethyl-6,7-dihydro-1-benzofuran-4(5H)-one

Chemical Property:

• Vapor Pressure: 0.0479mmHg at 25°C
• Boiling Point: 236.2oC at 760 mmHg
• Flash Point: 101.8oC
• PSA: 30.21000
• Density: 1.066g/cm3
• LogP: 2.43470
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 164.083729621
• Heavy Atom Count: 12
• Complexity: 208

Purity/Quality:

6,6-dimethyl-6,7-dihydro-1-benzofuran-4(5H)-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 6,6-dimethyl-6,7-dihydro-1-benzofuran-4(5H)-one

There total 8 articles about 6,6-dimethyl-6,7-dihydro-1-benzofuran-4(5H)-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: 89.0%

2-acetyl-6,6-dimethyl-2,3,4,5,6,7-hexahydro-4-oxo-benzo[b]furan (164531-74-2) → 4-oxo-6,6-dimethyl-4,5,6,7-tetrahydrobenzofuran (76230-27-8)

Guidance literature:

With toluene-4-sulfonic acid; In toluene; for 1h; Heating;

DOI:10.1016/0040-4020(95)98689-F

Reference yield: 76.0%

2-chloroethanal (107-20-0) + dimedone (126-81-8) → 4-oxo-6,6-dimethyl-4,5,6,7-tetrahydrobenzofuran (76230-27-8)

Guidance literature:

With potassium iodide; potassium hydroxide; In water; for 0.416667h;

DOI:10.3390/molecules22122229

Reference yield: 31.0%

2-chloroethanal (107-20-0) + dimedone (3471-13-4) → 4-oxo-6,6-dimethyl-4,5,6,7-tetrahydrobenzofuran (76230-27-8)

Guidance literature:

With sodium hydroxide; toluene-4-sulfonic acid; In water;

upstream raw materials:

2-chloroethanal

dimedone

vinyl acetate

diazodimedone

Downstream raw materials:

6,6-dimethyl-4-hydroxytetrahydrobenzofuran

4-Benzyloxy-6,6-dimethyl-4,5,6,7-tetrahydro-benzofuran

4-Benzyloxy-6,6-dimethyl-4,5,6,7-tetrahydro-benzofuran-2-carbaldehyde

(4-Benzyloxy-6,6-dimethyl-4,5,6,7-tetrahydro-benzofuran-2-yl)-methanol