2-Aminoquinazoline-4-carboxylic acid

Base Information

• Chemical Name: 2-Aminoquinazoline-4-carboxylic acid
• CAS No.: 100246-10-4
• Molecular Formula: C9H7 N3 O2
• Molecular Weight: 189.173
• Hs Code.: 2933990090
• European Community (EC) Number: 838-544-3
• DSSTox Substance ID: DTXSID50598629
• Wikidata: Q72441955
• Mol file: 100246-10-4.mol

Synonyms:2-Aminoquinazoline-4-carboxylic acid;100246-10-4;4-Quinazolinecarboxylicacid,2-amino-(6CI,9CI);4-quinazolinecarboxylic acid,2-amino-;4-Quinazolinecarboxylic acid, 2-amino-;2-Amino-4-carboxyquinazoline;SCHEMBL3088381;DTXSID50598629;JRGBSVQGSBEEEU-UHFFFAOYSA-N;2-Aminoquinazoline-4-carboxylicacid;DA-16543;EN300-2662066;Z1255505290

Chemical Property of 2-Aminoquinazoline-4-carboxylic acid

Chemical Property:

• PSA: 89.83000
• LogP: 0.84030
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 189.053826475
• Heavy Atom Count: 14
• Complexity: 234

Purity/Quality:

99% ^*data from raw suppliers

2-aminoquinazoline-4-carboxylicacid 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Aminoquinazoline-4-carboxylic acid

There total 2 articles about 2-Aminoquinazoline-4-carboxylic 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:

isatic acid, potassium salt (7631-35-8) + guanidine nitrate (113-00-8) → 2-aminoquinazoline-4-carboxylic acid (100246-10-4)

Guidance literature:

at 135 ℃; for 4h;

Reference yield:

→ 2-aminoquinazoline-4-carboxylic acid (100246-10-4)

Guidance literature:

Kaliumisatinat, Guanidin (125grad);

Reference yield: 78.0%

p-toluidine (106-49-0,12221-03-3) + 2-aminoquinazoline-4-carboxylic acid (100246-10-4) → 2-aminoquinazoline-4-carboxy-(4-methylphenyl)amide (1001326-04-0)

Guidance literature:

With benzotriazol-1-ol; triethylamine; dmap; In N,N-dimethyl-formamide; at 20 ℃; for 26h;

DOI:10.1021/jm070852a

upstream raw materials:

isatic acid, potassium salt

guanidine nitrate

Downstream raw materials:

2-aminoquinazoline-4-carboxycyclohexylamide

2-aminoquinazoline-4-carboxy-(4-methylphenyl)amide

2-aminoquinazoline-4-carboxy-(4-methoxyphenyl)amide

2-aminoquinazoline-4-carboxyanilide