(4-methoxyphenyl)methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Base Information

• Chemical Name: (4-methoxyphenyl)methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
• CAS No.: 5713-84-8
• Molecular Formula: C27H28BrNO6
• Molecular Weight: 542.4183
• DSSTox Substance ID: DTXSID30386485

Synonyms:(4-methoxyphenyl)methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate;AG-690/12892863;HMS593E20;ChemDiv1_002220;Oprea1_705032;Oprea1_798261;DTXSID30386485;RSUQDEWSBQLXBU-UHFFFAOYSA-N;STK042445;AKOS000658453;SR-01000422428;SR-01000422428-1;4-methoxybenzyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate;4-methoxybenzyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Chemical Property of (4-methoxyphenyl)methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Chemical Property:

• Vapor Pressure: 1.57E-17mmHg at 25°C
• Boiling Point: 650.7°Cat760mmHg
• Flash Point: 347.3°C
• Density: 1.46g/cm³
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 541.11000
• Heavy Atom Count: 35
• Complexity: 862

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=C(C(=CC(=C1)C2C3=C(CCCC3=O)NC(=C2C(=O)OCC4=CC=C(C=C4)OC)C)Br)O

Technology Process of (4-methoxyphenyl)methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

There total 3 articles about (4-methoxyphenyl)methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate 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: 80.0%

pyridine-4-carbaldehyde (872-85-5) + phenethylamine (64-04-0) → phenethyl-pyridin-4-ylmethylamine (5713-84-8)

Guidance literature:

pyridine-4-carbaldehyde; phenethylamine; In methanol; at 20 ℃; for 6h; Inert atmosphere; Reflux;

With sodium tetrahydroborate; In methanol; for 2h; Inert atmosphere;

DOI:10.1021/jacs.9b05590

Reference yield:

phenethyl-pyridin-4-ylmethylene-amine (6389-58-8) → phenethyl-pyridin-4-ylmethylamine (5713-84-8)

Guidance literature:

With sodium tetrahydroborate; In methanol; for 12h; Inert atmosphere;

DOI:10.1002/anie.201504487

Reference yield:

→ phenethyl-pyridin-4-ylmethylamine (5713-84-8)

Guidance literature:

N--β-phenylethylamin, H2, PtO2;

upstream raw materials:

phenethyl-pyridin-4-ylmethylene-amine

pyridine-4-carbaldehyde

phenethylamine

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