3(4H)-Quinazolineacetic acid, 4-oxo-2-(3,4,5-trimethoxyphenyl)-

Base Information

• Chemical Name: 3(4H)-Quinazolineacetic acid, 4-oxo-2-(3,4,5-trimethoxyphenyl)-
• CAS No.: 83408-90-6
• Molecular Formula: C₁₉H₁₈N₂O₆
• Molecular Weight: 370.362
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID30232337
• Wikidata: Q83113364

Synonyms:BRN 4577609;3(4H)-Quinazolineacetic acid, 4-oxo-2-(3,4,5-trimethoxyphenyl)-;83408-90-6;4-Oxo-2-(3,4,5-trimethoxyphenyl)-3(4H)-quinazolineacetic acid;DTXSID30232337;LS-139998

Chemical Property of 3(4H)-Quinazolineacetic acid, 4-oxo-2-(3,4,5-trimethoxyphenyl)-

Chemical Property:

• Vapor Pressure: 1.54E-14mmHg at 25°C
• Boiling Point: 585.2°C at 760 mmHg
• Flash Point: 307.7°C
• PSA: 99.88000
• Density: 1.33g/cm³
• LogP: 2.17390
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 370.11648630
• Heavy Atom Count: 27
• Complexity: 581

Purity/Quality:

3(4H)-QUINAZOLINEACETIC ACID, 4-OXO-2-(3,4,5-TRIMETHOXYPHENYL)- 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=O)N2CC(=O)O

Technology Process of 3(4H)-Quinazolineacetic acid, 4-oxo-2-(3,4,5-trimethoxyphenyl)-

There total 2 articles about 3(4H)-Quinazolineacetic acid, 4-oxo-2-(3,4,5-trimethoxyphenyl)- 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: 85.0%

2-(3,4,5-trimethoxyphenyl)-4-H-benzo[d][1,3]oxazin-4-one (40728-74-3) + glycine (56-40-6,18875-39-3,25718-94-9) → [4-Oxo-2-(3,4,5-trimethoxy-phenyl)-4H-quinazolin-3-yl]-acetic acid (83408-90-6)

Guidance literature:

In pyridine; water; for 10h; Heating;

Reference yield:

3,4,5-Trimethoxybenzoyl chloride (4521-61-3) → [4-Oxo-2-(3,4,5-trimethoxy-phenyl)-4H-quinazolin-3-yl]-acetic acid (83408-90-6)

Guidance literature:

Multi-step reaction with 2 steps

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

2: 85 percent / pyridine; H₂O / 10 h / Heating

With pyridine; In pyridine; water;

Reference yield:

[4-Oxo-2-(3,4,5-trimethoxy-phenyl)-4H-quinazolin-3-yl]-acetic acid (83408-90-6) → [4-Oxo-2-(3,4,5-trimethoxy-phenyl)-4H-quinazolin-3-yl]-acetyl chloride (83409-25-0)

Guidance literature:

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

upstream raw materials:

2-(3,4,5-trimethoxyphenyl)-4-H-benzo[d][1,3]oxazin-4-one

glycine

3,4,5-Trimethoxybenzoyl chloride

Downstream raw materials:

[4-Oxo-2-(3,4,5-trimethoxy-phenyl)-4H-quinazolin-3-yl]-acetyl chloride

N,N-Diethyl-2-[4-oxo-2-(3,4,5-trimethoxy-phenyl)-4H-quinazolin-3-yl]-acetamide

3-(2-Oxo-2-pyrrolidin-1-yl-ethyl)-2-(3,4,5-trimethoxy-phenyl)-3H-quinazolin-4-one

3-(2-Oxo-2-piperidin-1-yl-ethyl)-2-(3,4,5-trimethoxy-phenyl)-3H-quinazolin-4-one

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