1-(8-Methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)ethan-1-one

Base Information

• Chemical Name: 1-(8-Methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)ethan-1-one
• CAS No.: 34155-83-4
• Molecular Formula: C14H16O3
• Molecular Weight: 232.27500
• Hs Code.: 2914509090
• DSSTox Substance ID: DTXSID50440391
• Nikkaji Number: J19.731I
• Wikidata: Q82256686
• Mol file: 34155-83-4.mol

Synonyms:34155-83-4;Acetovanillochromene;SCHEMBL5476809;DTXSID50440391;1-(8-Methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)ethan-1-one;6-acetyl-2,2-dimethyl-8-methoxychromene

Chemical Property of 1-(8-Methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)ethan-1-one

Chemical Property:

• PSA: 35.53000
• LogP: 3.08200
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 232.109944368
• Heavy Atom Count: 17
• Complexity: 332

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(8-Methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)ethan-1-one

There total 6 articles about 1-(8-Methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)ethan-1-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: 9.7%

2,2-dimethyl-2H-8-chromenyl methyl ether (13162-79-3) + acetic anhydride (108-24-7) → acetovanillochromene (34155-83-4) + 1-(8-Methoxy-2,2-dimethyl-2H-chromen-5-yl)-ethanone

Guidance literature:

With zinc(II) chloride; In benzene; 1) RT, 3 h; 2) 80 deg C, 20 min.; 3) RT, 1 h;

DOI:10.1246/bcsj.57.442

Reference yield: 8.2%

2,2-dimethyl-2H-8-chromenyl methyl ether (13162-79-3) + acetic acid (64-19-7,77671-22-8) → acetovanillochromene (34155-83-4) + 1-(8-Methoxy-2,2-dimethyl-2H-chromen-5-yl)-ethanone

Guidance literature:

With trifluoroacetic anhydride; for 6h; Ambient temperature;

DOI:10.1246/bcsj.57.442

Reference yield:

6-acetyl-3,4-dihydro-8-methoxy-2,2,dimethyl-2H-1-benzopyran (4041-27-4) → acetovanillochromene (34155-83-4)

Guidance literature:

With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In benzene; for 12h; Heating;

upstream raw materials:

2,2-dimethyl-2H-8-chromenyl methyl ether

acetic anhydride

6-acetyl-3,4-dihydro-8-methoxy-2,2,dimethyl-2H-1-benzopyran

acetic acid