5-Methoxy-2,2-dimethylchroman-4-one

Base Information

• Chemical Name: 5-Methoxy-2,2-dimethylchroman-4-one
• CAS No.: 98910-61-3
• Molecular Formula: C₁₂H₁₄O₃
• Molecular Weight: 206.241
• Hs Code.: 2932999099
• European Community (EC) Number: 898-272-6
• Nikkaji Number: J614.423C
• Mol file: 98910-61-3.mol

Synonyms:5-Methoxy-2,2-dimethylchroman-4-one;98910-61-3;5-methoxy-2,2-dimethyl-3H-chromen-4-one;MFCD15527104;SCHEMBL20480377;YDA91061;AKOS024259210;DS-9149;SY224733;CS-0153802;C77374;EN300-7360504;A916227;4H-1-Benzopyran-4-one, 2,3-dihydro-5-methoxy-2,2-dimethyl-;5-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one

Chemical Property of 5-Methoxy-2,2-dimethylchroman-4-one

Chemical Property:

• PSA: 35.53000
• LogP: 2.43900
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 206.094294304
• Heavy Atom Count: 15
• Complexity: 260

Purity/Quality:

97% ^*data from raw suppliers

5-Methoxy-2,2-dimethylchroman-4-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CC(=O)C2=C(O1)C=CC=C2OC)C

Technology Process of 5-Methoxy-2,2-dimethylchroman-4-one

There total 16 articles about 5-Methoxy-2,2-dimethylchroman-4-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: 98.0%

1-(2-hydroxy-6-methoxyphenyl)-3-methyl-2-buten-1-one (119840-28-7) → 2,2-Dimethyl-5-methoxy-4-chromanone (98910-61-3)

Guidance literature:

With sodium hydroxide; In hexane; for 4h; Ambient temperature;

Reference yield: 95.0%

Dimethyl-thiocarbamic acid S-(5-methoxy-2,2-dimethyl-4-oxo-chroman-7-yl) ester (159151-05-0) → 2,2-Dimethyl-5-methoxy-4-chromanone (98910-61-3)

Guidance literature:

With nickel; In ethanol; for 1h; Ambient temperature;

DOI:10.1021/jo00100a038

Reference yield: 95.0%

2,2-dimethyl-5-methoxy-7-(trifluoromethylsulfonyloxy)chromanone → 2,2-Dimethyl-5-methoxy-4-chromanone (98910-61-3)

Guidance literature:

With formic acid; 1,3-bis-(diphenylphosphino)propane; triethylamine; palladium diacetate; In N,N-dimethyl-formamide; for 1.16667h;

DOI:10.1515/znb-2005-0716

upstream raw materials:

3'-methoxyphenyl 3-methylbut-2-enoate

1-(2-hydroxy-6-methoxyphenyl)-3-methyl-2-buten-1-one

7-Mercapto-5-methoxy-2,2-dimethyl-chroman-4-one

Dimethyl-thiocarbamic acid S-(5-methoxy-2,2-dimethyl-4-oxo-chroman-7-yl) ester

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