4-[(4-Phenylquinazolin-2-yl)amino]benzoic acid

Base Information

• Chemical Name: 4-[(4-Phenylquinazolin-2-yl)amino]benzoic acid
• CAS No.: 332102-09-7
• Molecular Formula: C₂₁H₁₅N₃O₂
• Molecular Weight: 341.369
• DSSTox Substance ID: DTXSID601248944
• ChEMBL ID: CHEMBL1392714
• Mol file: 332102-09-7.mol

Synonyms:332102-09-7;4-[(4-phenylquinazolin-2-yl)amino]benzoic acid;4-((4-phenylquinazolin-2-yl)amino)benzoic acid;4-(4-phenylquinazolin-2-ylamino)benzoic acid;CBMicro_005750;Oprea1_554716;Oprea1_567616;MLS000714366;SCHEMBL4133067;CHEMBL1392714;DTXSID601248944;HMS2689J19;SMSF0010243;MFCD02043462;STL151118;AKOS000638784;AKOS005750940;CB08235;CCG-109005;SMR000274346;BIM-0005737.P001;CS-0327777;4-((4-phenylquinazolin-2-yl)amino)benzoicacid;W13119;4-[(4-Phenyl-2-quinazolinyl)amino]benzoic acid;Z57110395;F0394-0004;4-{[(2Z)-4-phenylquinazolin-2(3H)-ylidene]amino}benzoic acid

Chemical Property of 4-[(4-Phenylquinazolin-2-yl)amino]benzoic acid

Chemical Property:

• XLogP3: 4.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 341.116426730
• Heavy Atom Count: 26
• Complexity: 472

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NC(=NC3=CC=CC=C32)NC4=CC=C(C=C4)C(=O)O

Technology Process of 4-[(4-Phenylquinazolin-2-yl)amino]benzoic acid

There total 3 articles about 4-[(4-Phenylquinazolin-2-yl)amino]benzoic 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: 95.0%

2-chloro-4-phenylquinazoline (29874-83-7) + 4-amino-benzoic acid (150-13-0,159246-81-8,8014-65-1) → 4-(4-phenylquinazolin-2-ylamino)benzoic acid (332102-09-7)

Guidance literature:

In isopropyl alcohol; for 4h; Heating / reflux;

Reference yield:

4-phenyl-1H-quinazolin-2-one (23441-75-0) → 4-(4-phenylquinazolin-2-ylamino)benzoic acid (332102-09-7)

Guidance literature:

Multi-step reaction with 2 steps

1: trichlorophosphate / 0.5 h / 105 °C

2: isopropyl alcohol / 4 h / Heating / reflux

With trichlorophosphate; In isopropyl alcohol;

Reference yield:

(2-aminophenyl)(phenyl)methanone (2835-77-0) → 4-(4-phenylquinazolin-2-ylamino)benzoic acid (332102-09-7)

Guidance literature:

Multi-step reaction with 3 steps

1: acetic acid / 18 h / 110 °C

2: trichlorophosphate / 0.5 h / 105 °C

3: isopropyl alcohol / 4 h / Heating / reflux

With trichlorophosphate; In acetic acid; isopropyl alcohol;

upstream raw materials:

2-chloro-4-phenylquinazoline

4-amino-benzoic acid

4-phenyl-1H-quinazolin-2-one

(2-aminophenyl)(phenyl)methanone

Downstream raw materials:

N-(5-bromo-2-methylphenyl)-4-[(4-phenylquinazolin-2-yl)amino]benzamide

N-(5-formyl-2-methylphenyl)-4-[(4-phenylquinazolin-2-yl)amino]benzamide

N-(5-chloromethyl-2-methylphenyl)-4-(4-phenylquinazolin-2-ylamino)benzamide

N-(2-methyl-5-nitrophenyl)-4-[(4-phenylquinazolin-2-yl)amino]benzamide