3-(2,4-Dimethoxyphenyl)-4-(bromomethyl)-7-methoxycoumarin

Base Information

Chemical Name:3-(2,4-Dimethoxyphenyl)-4-(bromomethyl)-7-methoxycoumarin
CAS No.:749901-81-3
Molecular Formula:C₁₉H₁₇BrO₅
Molecular Weight:405.245
Hs Code.:
DSSTox Substance ID:DTXSID90474493
Nikkaji Number:J2.068.474G
Wikidata:Q82304535

Synonyms:749901-81-3;3-(2,4-Dimethoxyphenyl)-4-(bromomethyl)-7-methoxycoumarin;SCHEMBL16847213;DTXSID90474493;AG-G-98671

Suppliers and Price of 3-(2,4-Dimethoxyphenyl)-4-(bromomethyl)-7-methoxycoumarin

Supply Marketing:

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

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Chemical Property of 3-(2,4-Dimethoxyphenyl)-4-(bromomethyl)-7-methoxycoumarin

Chemical Property:

XLogP3:3.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:404.02594
Heavy Atom Count:25
Complexity:520

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC1=CC2=C(C=C1)C(=C(C(=O)O2)C3=C(C=C(C=C3)OC)OC)CBr

Technology Process of 3-(2,4-Dimethoxyphenyl)-4-(bromomethyl)-7-methoxycoumarin

There total 11 articles about 3-(2,4-Dimethoxyphenyl)-4-(bromomethyl)-7-methoxycoumarin 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: 88.0%

: 554430-78-3
3-(2,4-dimethoxy-phenyl)-7-methoxy-4-methyl-chromen-2-one

: 749901-81-3
4-bromomethyl-3-[(2,4-dimethoxy)phenyl]-7-methoxycoumarin

Guidance literature:: 3-(2,4-dimethoxy-phenyl)-7-methoxy-4-methyl-chromen-2-one; With lithium hexamethyldisilazane; In tetrahydrofuran; at -30 ℃; for 0.75h;

With bromine; In tetrahydrofuran; at -78 ℃; for 0.25h;
DOI:10.1016/j.tetlet.2006.06.047

Reference yield:

: 6496-89-5
2,4-dimethoxyphenylacetic acid

: 749901-81-3
4-bromomethyl-3-[(2,4-dimethoxy)phenyl]-7-methoxycoumarin

Guidance literature:: Multi-step reaction with 2 steps

1.1: triethylamine / Heating

2.1: lithium hexamethyldisilazane / tetrahydrofuran / -32 °C

2.2: NBS / tetrahydrofuran / -78 °C

With triethylamine; lithium hexamethyldisilazane; In tetrahydrofuran;
DOI:10.1016/j.tetlet.2004.06.008

Reference yield:

: 89-84-9
2',4'-dihydroxy-4-acetophenone

: 749901-81-3
4-bromomethyl-3-[(2,4-dimethoxy)phenyl]-7-methoxycoumarin

Guidance literature:: Multi-step reaction with 4 steps

1: triethylamine

2: potassium carbonate / methanol

3: potassium carbonate / N,N-dimethyl-formamide

4: N-Bromosuccinimide; lithium hexamethyldisilazane / tetrahydrofuran

With N-Bromosuccinimide; potassium carbonate; triethylamine; lithium hexamethyldisilazane; In tetrahydrofuran; methanol; N,N-dimethyl-formamide;
DOI:10.1021/op700020f