alpha-(2-Methylpropyl)-4-oxo-2-(3,4,5-trimethoxyphenyl)-3(4H)-quinazolineacetic acid

Base Information

• Chemical Name: alpha-(2-Methylpropyl)-4-oxo-2-(3,4,5-trimethoxyphenyl)-3(4H)-quinazolineacetic acid
• CAS No.: 83408-93-9
• Molecular Formula: C₂₃H₂₆N₂O₆
• Molecular Weight: 426.469
• DSSTox Substance ID: DTXSID001003401
• Mol file: 83408-93-9.mol

Synonyms:BRN 4598020;3(4H)-Quinazolineacetic acid, alpha-(2-methylpropyl)-4-oxo-2-(3,4,5-trimethoxyphenyl)-;alpha-(2-Methylpropyl)-4-oxo-2-(3,4,5-trimethoxyphenyl)-3(4H)-quinazolineacetic acid;83408-93-9;DTXSID001003401;LS-139993;4-Methyl-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)quinazolin-3(4H)-yl]pentanoic acid

Chemical Property of alpha-(2-Methylpropyl)-4-oxo-2-(3,4,5-trimethoxyphenyl)-3(4H)-quinazolineacetic acid

Chemical Property:

• Vapor Pressure: 2.04E-15mmHg at 25°C
• Boiling Point: 603.5°Cat760mmHg
• Flash Point: 318.8°C
• Density: 1.25g/cm³
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 426.17908655
• Heavy Atom Count: 31
• Complexity: 667

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(C(=O)O)N1C(=NC2=CC=CC=C2C1=O)C3=CC(=C(C(=C3)OC)OC)OC

Technology Process of alpha-(2-Methylpropyl)-4-oxo-2-(3,4,5-trimethoxyphenyl)-3(4H)-quinazolineacetic acid

There total 2 articles about alpha-(2-Methylpropyl)-4-oxo-2-(3,4,5-trimethoxyphenyl)-3(4H)-quinazolineacetic acid 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:

3,4,5-Trimethoxybenzoyl chloride (4521-61-3) → 4-Methyl-2-[4-oxo-2-(3,4,5-trimethoxy-phenyl)-4H-quinazolin-3-yl]-pentanoic acid (83408-93-9)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine / 1) 0-5 deg C 2) 1h, room temperature

2: 72 percent / pyridine; H₂O / 10 h / Heating

With pyridine; In pyridine; water;

Reference yield:

anthranilic acid (118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4) → 4-Methyl-2-[4-oxo-2-(3,4,5-trimethoxy-phenyl)-4H-quinazolin-3-yl]-pentanoic acid (83408-93-9)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine / 1) 0-5 deg C 2) 1h, room temperature

2: 72 percent / pyridine; H₂O / 10 h / Heating

With pyridine; In pyridine; water;

Reference yield:

4-Methyl-2-[4-oxo-2-(3,4,5-trimethoxy-phenyl)-4H-quinazolin-3-yl]-pentanoic acid (83408-93-9) → 4-Methyl-2-[4-oxo-2-(3,4,5-trimethoxy-phenyl)-4H-quinazolin-3-yl]-pentanoyl chloride (83409-28-3)

Guidance literature:

With thionyl chloride; In benzene; for 6h; Heating;

upstream raw materials:

3,4,5-Trimethoxybenzoyl chloride

anthranilic acid

Downstream raw materials:

4-Methyl-2-[4-oxo-2-(3,4,5-trimethoxy-phenyl)-4H-quinazolin-3-yl]-pentanoyl chloride

4-Methyl-2-[4-oxo-2-(3,4,5-trimethoxy-phenyl)-4H-quinazolin-3-yl]-pentanoic acid diethylamide

3-[3-Methyl-1-(pyrrolidine-1-carbonyl)-butyl]-2-(3,4,5-trimethoxy-phenyl)-3H-quinazolin-4-one

3-[3-Methyl-1-(piperidine-1-carbonyl)-butyl]-2-(3,4,5-trimethoxy-phenyl)-3H-quinazolin-4-one