4-[(4-Acetyl-3-hydroxy-2-propylphenoxy)methyl]-2-bromo-5-methoxybenzoic acid

Base Information

Chemical Name:4-[(4-Acetyl-3-hydroxy-2-propylphenoxy)methyl]-2-bromo-5-methoxybenzoic acid
CAS No.:87808-30-8
Molecular Formula:C₂₀H₂₁BrO₆
Molecular Weight:437.287
Hs Code.:
ChEMBL ID:CHEMBL167222
DSSTox Substance ID:DTXSID601141770

Synonyms:CHEMBL167222;SCHEMBL10956853;DTXSID601141770;4-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-2-bromo-5-methoxybenzoic acid;87808-30-8

Suppliers and Price of 4-[(4-Acetyl-3-hydroxy-2-propylphenoxy)methyl]-2-bromo-5-methoxybenzoic acid

Supply Marketing:

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

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Chemical Property of 4-[(4-Acetyl-3-hydroxy-2-propylphenoxy)methyl]-2-bromo-5-methoxybenzoic acid

Chemical Property:

XLogP3:4.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:436.05215
Heavy Atom Count:27
Complexity:513

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCCC1=C(C=CC(=C1O)C(=O)C)OCC2=CC(=C(C=C2OC)C(=O)O)Br

Technology Process of 4-[(4-Acetyl-3-hydroxy-2-propylphenoxy)methyl]-2-bromo-5-methoxybenzoic acid

There total 4 articles about 4-[(4-Acetyl-3-hydroxy-2-propylphenoxy)methyl]-2-bromo-5-methoxybenzoic acid 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:

: 4-(4-Acetyl-3-hydroxy-2-propyl-phenoxymethyl)-2-bromo-5-methoxy-benzoic acid methyl ester

: 87808-30-8
2-bromo-5-methoxy-4-(4-acetyl-3-hydroxy-2-propylphenoxy)methylbenzoic acid

Guidance literature:: With lithium hydroxide; In tetrahydrofuran; methanol; water; Ambient temperature;
DOI:10.1021/jm00124a014

Reference yield:

: 40786-69-4
1-(2,4-dihydroxy-3-propylphenyl)ethanone

: 87808-30-8
2-bromo-5-methoxy-4-(4-acetyl-3-hydroxy-2-propylphenoxy)methylbenzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: K₂CO₃ / acetone / Heating

2: LiOH*H₂O / tetrahydrofuran; methanol; H₂O / Ambient temperature

With lithium hydroxide; potassium carbonate; In tetrahydrofuran; methanol; water; acetone;
DOI:10.1021/jm00124a014

Reference yield:

: methyl 2-bromo-4-(bromomethyl)-5-methoxybenzoate

: 87808-30-8
2-bromo-5-methoxy-4-(4-acetyl-3-hydroxy-2-propylphenoxy)methylbenzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: K₂CO₃ / acetone / Heating

2: LiOH*H₂O / tetrahydrofuran; methanol; H₂O / Ambient temperature

With lithium hydroxide; potassium carbonate; In tetrahydrofuran; methanol; water; acetone;
DOI:10.1021/jm00124a014