2-[6-(1,3-Benzodioxol-5-yl)-2-(3-bromophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxyphenol

Base Information

• Chemical Name: 2-[6-(1,3-Benzodioxol-5-yl)-2-(3-bromophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxyphenol
• CAS No.: 6776-44-9
• Molecular Formula: C₁₀H₉BrF₃NO₂
• Molecular Weight: 312.086
• DSSTox Substance ID: DTXSID90411363

Synonyms:6776-44-9;2-[6-(1,3-benzodioxol-5-yl)-2-(3-bromophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxyphenol;DTXSID90411363

Chemical Property of 2-[6-(1,3-Benzodioxol-5-yl)-2-(3-bromophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxyphenol

Chemical Property:

• Vapor Pressure: 7.16E-16mmHg at 25°C
• Boiling Point: 618.1°Cat760mmHg
• Flash Point: 327.6°C
• Density: g/cm³
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 495.09194
• Heavy Atom Count: 32
• Complexity: 664

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC=CC(=C1O)C2C=C(NC([NH2+]2)C3=CC(=CC=C3)Br)C4=CC5=C(C=C4)OCO5

Technology Process of 2-[6-(1,3-Benzodioxol-5-yl)-2-(3-bromophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxyphenol

There total 1 articles about 2-[6-(1,3-Benzodioxol-5-yl)-2-(3-bromophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxyphenol 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:

2,2,2-Trifluor-1-ethylmercapto-N-benzyloxycarbonyl-ethylamin (1464-81-9) → 2,2,2-Trifluor-1-brom-N-benzyloxycarbonyl-ethylamin (6776-44-9)

Guidance literature:

With bromine; In tetrachloromethane;

Reference yield:

2,2,2-Trifluor-1-brom-N-benzyloxycarbonyl-ethylamin (6776-44-9) → 2,2,2-Trifluor-1-azido-N-benzyloxycarbonyl-ethylamin

Guidance literature:

With sodium azide; In 1,4-dioxane;

Reference yield:

N-(benzyloxycarbonyl)-L-serine (1145-80-8) + 2,2,2-Trifluor-1-brom-N-benzyloxycarbonyl-ethylamin (6776-44-9) → (S)-2-Benzyloxycarbonylamino-3-(1-benzyloxycarbonylamino-2,2,2-trifluoro-ethoxy)-propionic acid

Guidance literature:

With triethylamine; In tetrahydrofuran;

upstream raw materials:

2,2,2-Trifluor-1-ethylmercapto-N-benzyloxycarbonyl-ethylamin

Downstream raw materials:

2,2,2-Trifluor-1-ethoxy-N-benzyloxycarbonyl-ethylamin

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