2-Propen-1-one, 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-phenyl-

Base Information

• Chemical Name: 2-Propen-1-one, 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-phenyl-
• CAS No.: 89406-17-7
• Molecular Formula: C₁₆H₁₃BrO₃
• Molecular Weight: 333.181
• DSSTox Substance ID: DTXSID30393078

Synonyms:89406-17-7;2-Propen-1-one, 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-phenyl-;DTXSID30393078;AKOS034379767

Chemical Property of 2-Propen-1-one, 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-phenyl-

Chemical Property:

• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 332.00481
• Heavy Atom Count: 20
• Complexity: 350

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=CC(=C1)C=CC(=O)C2=CC=CC=C2)Br)O

Technology Process of 2-Propen-1-one, 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-phenyl-

There total 1 articles about 2-Propen-1-one, 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-phenyl- 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:

5-bromo-4-hydroxy-3-methoxybenzaldehyde (2973-76-4) + acetophenone (98-86-2) → 3-bromo-4-hydroxy-5-methoxy-trans-chalcone (89406-17-7)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/ja01342a049

Reference yield: 76.0%

3-bromo-4-hydroxy-5-methoxy-trans-chalcone (89406-17-7) + 1,3,7,9-tetrabromo-10-(hydrazinoacetyl)-10H-phenothiazine (152774-57-7) → 2-[5-(3-Bromo-4-hydroxy-5-methoxy-phenyl)-3-phenyl-4,5-dihydro-pyrazol-1-yl]-1-(1,3,7,9-tetrabromo-phenothiazin-10-yl)-ethanone

Guidance literature:

With acetic acid; for 5h; Heating;

Reference yield: 58.0%

3-bromo-4-hydroxy-5-methoxy-trans-chalcone (89406-17-7) + 2-amino-benzenethiol (137-07-5) → 2-Bromo-6-methoxy-4-(4-phenyl-2,3-dihydro-benzo[b][1,4]thiazepin-2-yl)-phenol (89406-20-2)

Guidance literature:

In toluene; Heating;

upstream raw materials:

5-bromo-4-hydroxy-3-methoxybenzaldehyde

acetophenone

Downstream raw materials:

2-Bromo-6-methoxy-4-(4-phenyl-2,3-dihydro-benzo[b][1,4]thiazepin-2-yl)-phenol

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