(8-methyl-4-oxoquinazolin-3(4H)-yl)acetic acid

Base Information

• Chemical Name: (8-methyl-4-oxoquinazolin-3(4H)-yl)acetic acid
• CAS No.: 875164-01-5
• Molecular Formula: C₁₁H₁₀N₂O₃
• Molecular Weight: 218.212
• European Community (EC) Number: 881-860-1
• ChEMBL ID: CHEMBL4446091
• Mol file: 875164-01-5.mol

Synonyms:875164-01-5;(8-methyl-4-oxoquinazolin-3(4H)-yl)acetic acid;2-(8-methyl-4-oxoquinazolin-3(4H)-yl)acetic acid;2-(8-methyl-4-oxo-3,4-dihydroquinazolin-3-yl)acetic acid;CHEMBL4446091;2-(8-methyl-4-oxoquinazolin-3-yl)acetic acid;BDBM50530951;AKOS009084588;BB 0218572;CS-0241742;FT-0749359;EN300-23733;AB00741051-01;(8-methyl-4-oxo-3(4H)-quinazolinyl)acetic acid;2-(8-methyl-4-oxoquinazolin-3(4H)-yl)aceticacid;J-501711;Z164706012

Chemical Property of (8-methyl-4-oxoquinazolin-3(4H)-yl)acetic acid

Chemical Property:

• Boiling Point: 463.9±55.0 °C(Predicted)
• PKA: 3.65±0.10(Predicted)
• PSA: 72.19000
• Density: 1.37±0.1 g/cm3(Predicted)
• LogP: 0.78950
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 218.06914219
• Heavy Atom Count: 16
• Complexity: 340

Purity/Quality:

97% ^*data from raw suppliers

2-(8-methyl-4-oxo-3,4-dihydroquinazolin-3-yl)aceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C(=CC=C1)C(=O)N(C=N2)CC(=O)O

Technology Process of (8-methyl-4-oxoquinazolin-3(4H)-yl)acetic acid

There total 3 articles about (8-methyl-4-oxoquinazolin-3(4H)-yl)acetic 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: 92.0%

methyl 2-(8-methyl-4-oxoquinazolin-3(4H)-yl)acetate → 2-(8-methyl-4-oxoquinazolin-3(4H)-yl)acetic acid (875164-01-5)

Guidance literature:

With lithium hydroxide; In tetrahydrofuran; water; at 20 ℃; for 1h;

DOI:10.1021/acs.jmedchem.6b00039

Reference yield:

3-methylantranilic acid (4389-45-1) → 2-(8-methyl-4-oxoquinazolin-3(4H)-yl)acetic acid (875164-01-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 1 h / 150 °C / Microwave irradiation

2: potassium carbonate / N,N-dimethyl-formamide / 1.5 h / 50 °C

3: lithium hydroxide / water; tetrahydrofuran / 1 h / 20 °C

With potassium carbonate; lithium hydroxide; In tetrahydrofuran; water; N,N-dimethyl-formamide;

DOI:10.1021/acs.jmedchem.6b00039

Reference yield:

8-methylquinazolin-4(3H)-one (19181-54-5) → 2-(8-methyl-4-oxoquinazolin-3(4H)-yl)acetic acid (875164-01-5)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / N,N-dimethyl-formamide / 1.5 h / 50 °C

2: lithium hydroxide / water; tetrahydrofuran / 1 h / 20 °C

With potassium carbonate; lithium hydroxide; In tetrahydrofuran; water; N,N-dimethyl-formamide;

DOI:10.1021/acs.jmedchem.6b00039

upstream raw materials:

3-methylantranilic acid

8-methylquinazolin-4(3H)-one

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