5-Hydroxy-9-oxo-1,9-dihydropyrazolo[5,1-b]quinazoline-2-carboxylic acid

Base Information

Chemical Name:5-Hydroxy-9-oxo-1,9-dihydropyrazolo[5,1-b]quinazoline-2-carboxylic acid
CAS No.:76745-59-0
Molecular Formula:C₁₁H₇N₃O₄
Molecular Weight:245.194
Hs Code.:2933990090
ChEMBL ID:CHEMBL165862
DSSTox Substance ID:DTXSID90508146
Wikidata:Q82364862
Mol file:76745-59-0.mol

Synonyms:76745-59-0;CHEMBL165862;SCHEMBL11159402;DTXSID90508146;CWCSVAQNHAXZIU-UHFFFAOYSA-N;5-Hydroxy-9-oxo-1,9-dihydropyrazolo[5,1-b]quinazoline-2-carboxylic acid;4,9-Dihydro-5-hydroxy-9-oxo-pyrazolo[5,1-b]quinazoline-2-carboxylic acid

Suppliers and Price of 5-Hydroxy-9-oxo-1,9-dihydropyrazolo[5,1-b]quinazoline-2-carboxylic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 3 raw suppliers

Chemical Property of 5-Hydroxy-9-oxo-1,9-dihydropyrazolo[5,1-b]quinazoline-2-carboxylic acid

Chemical Property:

PSA：107.69000
LogP:0.57960
XLogP3:0.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:245.04365571
Heavy Atom Count:18
Complexity:485

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC2=C(C(=C1)O)N=C3C=C(NN3C2=O)C(=O)O

Technology Process of 5-Hydroxy-9-oxo-1,9-dihydropyrazolo[5,1-b]quinazoline-2-carboxylic acid

There total 4 articles about 5-Hydroxy-9-oxo-1,9-dihydropyrazolo[5,1-b]quinazoline-2-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: 75.0%

: 76745-48-7
4,9-dihydro-5-methoxy-9-oxopyrazolo<5,1-b>quinazoline-2-carboxylic acid

: 76745-59-0
4,9-Dihydro-5-hydroxy-9-oxo-pyrazolo[5,1-b]quinazoline-2-carboxylic acid

Guidance literature:: With hydrogen bromide; In acetic acid; for 23h; Heating;
DOI:10.1021/jm00138a019

Reference yield:

: 3177-80-8
2-amino-3-methoxybenzoic acid

: 76745-59-0
4,9-Dihydro-5-hydroxy-9-oxo-pyrazolo[5,1-b]quinazoline-2-carboxylic acid

Guidance literature:: Multi-step reaction with 4 steps

1: 94 percent / dioxane; benzene / Ambient temperature

2: 68 percent / 18percent aq. NH₂NH₂ / Ambient temperature

3: 2.) Na₂CO₃ / 1.) water, reflux, 1.5 h, 2.) water, reflux, 1 h

4: 75 percent / 48percent HBr / acetic acid / 23 h / Heating

With hydrogen bromide; sodium carbonate; hydrazine hydrate; In 1,4-dioxane; acetic acid; benzene;
DOI:10.1021/jm00138a019

Reference yield:

: 76745-47-6
3-methoxyanthranilic hydrazide

: 76745-59-0
4,9-Dihydro-5-hydroxy-9-oxo-pyrazolo[5,1-b]quinazoline-2-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 2.) Na₂CO₃ / 1.) water, reflux, 1.5 h, 2.) water, reflux, 1 h

2: 75 percent / 48percent HBr / acetic acid / 23 h / Heating

With hydrogen bromide; sodium carbonate; In acetic acid;
DOI:10.1021/jm00138a019