7-O-w-Bromopropyldaidzein

Base Information

• Chemical Name: 7-O-w-Bromopropyldaidzein
• CAS No.: 309252-38-8
• Molecular Formula: C18H15BrO4
• Molecular Weight: 375.21
• DSSTox Substance ID: DTXSID90393998
• Nikkaji Number: J1.447.624E
• Pharos Ligand ID: 1K4PB8HJSCZH
• ChEMBL ID: CHEMBL115314
• Mol file: 309252-38-8.mol

Synonyms:7-O-w-Bromopropyldaidzein;309252-38-8;7-(3-bromopropoxy)-3-(4-hydroxyphenyl)chromen-4-one;CHEMBL115314;7-O-(3-Bromopropyl)-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;7-(3-Bromopropoxy)-3-(4-hydroxyphenyl)-4H-chromen-4-one;DTXSID90393998;BDBM50093530;ZINC02576376;7-(3-Bromopropoxy)-4'-hydroxyisoflavone;FT-0663858;7-(3-Bromo-propoxy)-3-(4-hydroxy-phenyl)-chromen-4-one

Chemical Property of 7-O-w-Bromopropyldaidzein

Chemical Property:

• Vapor Pressure: 5.44E-13mmHg at 25°C
• Melting Point: 178-179°C
• Boiling Point: 556.5°C at 760 mmHg
• Flash Point: 290.3°C
• PSA: 59.67000
• Density: 1.513g/cm³
• LogP: 4.32940
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 374.01537
• Heavy Atom Count: 23
• Complexity: 442

Purity/Quality:

98%Min ^*data from raw suppliers

7-O-w-Bromopropyldaidzein ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)OCCCBr)O

Technology Process of 7-O-w-Bromopropyldaidzein

There total 4 articles about 7-O-w-Bromopropyldaidzein 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: 47.5%

daidzein + 1,3-dibromo-propane (109-64-8) → 7-O-(3-bromopropyl)-daidzein (309252-38-8)

Guidance literature:

With sodium hydrogencarbonate; In acetone; at 65 ℃; for 48h;

Reference yield:

4-hydroxyphenylacetate (156-38-7) → 7-O-(3-bromopropyl)-daidzein (309252-38-8)

Guidance literature:

Multi-step reaction with 2 steps

1.1: BF₃ etherate / 24 h / 70 °C

1.2: 67 percent / mesyl chloride / 4.5 h / 65 - 70 °C

2.1: 1.353 g / 2N aq. KOH / acetone / Heating

With potassium hydroxide; boron trifluoride diethyl etherate; In acetone;

DOI:10.1021/jm990614i

Reference yield:

recorcinol (108-46-3) → 7-O-(3-bromopropyl)-daidzein (309252-38-8)

Guidance literature:

Multi-step reaction with 2 steps

1.1: BF₃ etherate / 24 h / 70 °C

1.2: 67 percent / mesyl chloride / 4.5 h / 65 - 70 °C

2.1: 1.353 g / 2N aq. KOH / acetone / Heating

With potassium hydroxide; boron trifluoride diethyl etherate; In acetone;

DOI:10.1021/jm990614i

upstream raw materials:

daidzein

1,3-dibromo-propane

4-hydroxyphenylacetate

recorcinol