5,7-Dimethylcoumarin

Base Information

• Chemical Name: 5,7-Dimethylcoumarin
• CAS No.: 14002-99-4
• Molecular Formula: C11H10 O2
• Molecular Weight: 174.199
• NSC Number: 28554
• UNII: II2R3NWK87
• DSSTox Substance ID: DTXSID50161216
• Nikkaji Number: J1.118.326C
• Wikidata: Q83029570
• Mol file: 14002-99-4.mol

Synonyms:5,7-Dimethylcoumarin;14002-99-4;2H-1-Benzopyran-2-one,5,7-dimethyl-;II2R3NWK87;2H-1-Benzopyran-2-one, 5,7-dimethyl-;NSC-28554;5,7-Dimethyl-2H-1-benzopyran-2-one;5,7-dimethyl-2H-chromen-2-one;NSC28554;NSC 28554;UNII-II2R3NWK87;2H-1-Benzopyran-2-one, 5,7-dimethyl- (9CI);SCHEMBL8750160;DTXSID50161216;COUMARIN, 5,7-DIMETHYL-;2H-1-Benzopyran-2-one,7-dimethyl-

Chemical Property of 5,7-Dimethylcoumarin

Chemical Property:

• Vapor Pressure: 0.000226mmHg at 25°C
• Boiling Point: 325.7°Cat760mmHg
• Flash Point: 134.4°C
• Density: 1.164g/cm³
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 174.068079557
• Heavy Atom Count: 13
• Complexity: 245

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C2C=CC(=O)OC2=C1)C

Technology Process of 5,7-Dimethylcoumarin

There total 5 articles about 5,7-Dimethylcoumarin 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: 50.0%

3,5-Dimethylphenol (108-68-9,50356-23-5) + propynoic acid ethyl ester (623-47-2) → (2Z)-3-(4-hydroxy-2,6-dimethylphenyl)propenoic acid + 5,7-dimethyl-2H-1-benzopyran-2-one (14002-99-4)

Guidance literature:

With silver trifluoromethanesulfonate; trifluoroacetic acid; K₂PtCl₂; at 27 - 32 ℃; for 26h;

DOI:10.1016/j.tet.2006.04.080

Reference yield: 24.0%

(E)-3-(4-methoxyphenyl)acrylic acid (943-89-5) + 3,5-Dimethylphenol (108-68-9,50356-23-5) → 5,7-dimethyl-2H-1-benzopyran-2-one (14002-99-4) + 5,7-dimethyl-4-(4-methoxyphenyl)-3,4-dihydrobenzopyran-2-one (85903-47-5)

Guidance literature:

With phosphoric acid; phosphorus pentoxide; at 50 ℃; for 24h;

Reference yield:

2-[(Z)-2-(benzylmethylcarbamoyl)vinyl]-3,5-dimethylphenyl acetate (300767-04-8) → 5,7-dimethyl-2H-1-benzopyran-2-one (14002-99-4) + benzyl-methyl-amine (103-67-3)

Guidance literature:

With porcine liver esterase; phosphate buffer; at 37 ℃; Rate constant;

DOI:10.1016/S0960-894X(99)00289-9

upstream raw materials:

(E)-3-(4-methoxyphenyl)acrylic acid

3,5-Dimethylphenol

2-[(Z)-2-(diethylcarbamoyl)vinyl]-3,5-dimethylphenyl acetate

2-[(Z)-2-(benzylmethylcarbamoyl)vinyl]-3,5-dimethylphenyl acetate

Downstream raw materials:

2-[(Z)-3-hydroxy-1-propenyl]-3,5-dimethylphenol

2-[(Z)-2-(benzylmethylcarbamoyl)vinyl]-3,5-dimethylphenyl acetate

2-[(Z)-3-{[1-(tert-butyl)-1,1-dimethyl-silanyl]oxy}-1-propenyl]-3,5-dimethylphenyl acetate

2-[(Z)-2-(diethylcarbamoyl)vinyl]-3,5-dimethylphenyl acetate

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 14002-99-4 5,7-dimethyl-2H-chromen-2-one

Send

Send

Metric Ton KG G Pound L ML

Send

Send