4,4'-Dimethylangelicin

Base Information

Chemical Name:4,4'-Dimethylangelicin
CAS No.:22975-76-4
Molecular Formula:C₁₃H₁₀O₃
Molecular Weight:214.221
Hs Code.:2932999099
UNII:AAB2UYA0SR
DSSTox Substance ID:DTXSID80177522
Wikidata:Q27155950
ChEMBL ID:CHEMBL172673
Mol file:22975-76-4.mol

Synonyms:4,4'-dimethylangelicin;4,9-dimethylangelicin

Suppliers and Price of 4,4'-Dimethylangelicin

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
4,4'-DIMETHYLANGELICIN 95.00%
5MG
$ 502.62

Total 3 raw suppliers

Chemical Property of 4,4'-Dimethylangelicin

Chemical Property:

Vapor Pressure:4.11E-06mmHg at 25°C
Refractive Index:1.5090 (estimate)
Boiling Point:384.4°Cat760mmHg
Flash Point:186.3°C
PSA：43.35000
Density:1.273g/cm³
LogP:3.15600
XLogP3:2.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:214.062994177
Heavy Atom Count:16
Complexity:347

Purity/Quality:

99% ^*data from raw suppliers

4,4'-DIMETHYLANGELICIN 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=O)OC2=C1C=CC3=C2C(=CO3)C

Technology Process of 4,4'-Dimethylangelicin

There total 6 articles about 4,4'-Dimethylangelicin 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:

: 22975-75-3
<(4-methyl-8-acetyl-7-coumarinyl)oxy>acetic acid

: 22975-76-4
4,4'-dimethylangelicin

Guidance literature:: With sodium acetate; acetic anhydride;

Reference yield:

: 2747-05-9
4-methylumbelliferyl acetate

: 22975-76-4
4,4'-dimethylangelicin

Guidance literature:: Multi-step reaction with 5 steps

1: 62 percent / AlCl₃, NaCl / 1.5 h / 170 °C

2: 58 percent / K₂CO₃ / acetone / 4 h / Heating

3: 70 percent / 5percent KOH / H₂O; methanol / 0.25 h / Heating

4: Ac₂O, AcONa / 1 h / Heating

5: H₂O / 0.17 h / Heating

With potassium hydroxide; aluminium trichloride; sodium acetate; acetic anhydride; potassium carbonate; sodium chloride; In methanol; water; acetone;
DOI:10.1021/jm00360a016

Reference yield:

: 2555-29-5
8-acetyl-7-hydroxy-4-methyl-2H-chromen-2-one

: 22975-76-4
4,4'-dimethylangelicin

Guidance literature:: Multi-step reaction with 4 steps

1: 58 percent / K₂CO₃ / acetone / 4 h / Heating

2: 70 percent / 5percent KOH / H₂O; methanol / 0.25 h / Heating

3: Ac₂O, AcONa / 1 h / Heating

4: H₂O / 0.17 h / Heating

With potassium hydroxide; sodium acetate; acetic anhydride; potassium carbonate; In methanol; water; acetone;
DOI:10.1021/jm00360a016