4-Bromo-2-[2-(3-bromo-4-methoxyphenyl)-6-(4-methylphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol

Base Information

• Chemical Name: 4-Bromo-2-[2-(3-bromo-4-methoxyphenyl)-6-(4-methylphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol
• CAS No.: 6776-45-0
• Molecular Formula: C4 H6 F3 N O2
• Molecular Weight: 531.2591
• DSSTox Substance ID: DTXSID50411364

Synonyms:6776-45-0;4-bromo-2-[2-(3-bromo-4-methoxyphenyl)-6-(4-methylphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol;DTXSID50411364

Chemical Property of 4-Bromo-2-[2-(3-bromo-4-methoxyphenyl)-6-(4-methylphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol

Chemical Property:

• Vapor Pressure: 2.13E-15mmHg at 25°C
• Boiling Point: 608.4°Cat760mmHg
• Flash Point: 321.8°C
• Density: g/cm³
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 531.01058
• Heavy Atom Count: 30
• Complexity: 596

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2=CC([NH2+]C(N2)C3=CC(=C(C=C3)OC)Br)C4=C(C=CC(=C4)Br)O

Technology Process of 4-Bromo-2-[2-(3-bromo-4-methoxyphenyl)-6-(4-methylphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol

There total 3 articles about 4-Bromo-2-[2-(3-bromo-4-methoxyphenyl)-6-(4-methylphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol 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: 69.0%

acetamide (60-35-5) + ethyl trifluoroacetaldehyde hemiacetal (433-27-2) → N-(2,2,2-trifluoro-1-hydroxyethyl)-acetamide (6776-45-0)

Guidance literature:

In 1,4-dioxane; for 48h; Heating;

DOI:10.1246/bcsj.66.661

Reference yield: 65.0%

acetamide (60-35-5) + 2,2,2-trifluoro-1-methoxy-ethanol (431-46-9) → N-(2,2,2-trifluoro-1-hydroxyethyl)-acetamide (6776-45-0)

Guidance literature:

In 1,4-dioxane;

DOI:10.1021/ol034812m

Reference yield:

acetamide (60-35-5) + 2,2,2-Trifluoroacetaldehyde (75-90-1) → N-(2,2,2-trifluoro-1-hydroxyethyl)-acetamide (6776-45-0)

Guidance literature:

With sulfuric acid;

upstream raw materials:

acetamide

2,2,2-Trifluoroacetaldehyde

ethyl trifluoroacetaldehyde hemiacetal

2,2,2-trifluoro-1-methoxy-ethanol

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