4-Oxo-4H-9-thia-1,4a-diaza-fluorene-3-carboxylic acid

Base Information

Chemical Name:4-Oxo-4H-9-thia-1,4a-diaza-fluorene-3-carboxylic acid
CAS No.:21786-97-0
Molecular Formula:C₁₁H₆N₂O₃S
Molecular Weight:246.246
Hs Code.:2934100090
DSSTox Substance ID:DTXSID00369386
Nikkaji Number:J475.921D
Wikidata:Q82156445
ChEMBL ID:CHEMBL347396
Mol file:21786-97-0.mol

Synonyms:21786-97-0;4-Oxo-4H-9-thia-1,4a-diaza-fluorene-3-carboxylic acid;4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxylic acid;4-Oxo-4H-benzo[4,5]thiazolo[3,2-a]pyrimidine-3-carboxylic acid;Maybridge1_005843;Oprea1_133483;CHEMBL347396;SCHEMBL11734087;HMS558B13;DTXSID00369386;PIINGSXUWUVNKU-UHFFFAOYSA-N;CCG-1238;AKOS000300348;SDCCGMLS-0066196.P001;3-carboxy-4-oxo-4H-pyrimido[2,1-b]benzothiazole;4-Oxo-4H-benzo[4,5]thiazolo[3,2-a]pyrimidine-3-carboxylicacid;4-Oxo-4H-benzo[d]pyrimido[2.1-b][1.3]thiazole-3-carboxylic acid

Suppliers and Price of 4-Oxo-4H-9-thia-1,4a-diaza-fluorene-3-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

Matrix Scientific
4-Oxo-4H-9-thia-1,4a-diaza-fluorene-3-carboxylic acid
5g
$ 1420.00

Matrix Scientific
4-Oxo-4H-9-thia-1,4a-diaza-fluorene-3-carboxylic acid
1g
$ 565.00

Atlantic Research Chemicals
4-OXO-4H-9-THIA-1,4A-DIAZA-FLUORENE-3-CARBOXYLICACID 95%
1mg:
$ 42.41

American Custom Chemicals Corporation
4-OXO-4H-9-THIA-1,4A-DIAZA-FLUORENE-3-CARBOXYLIC ACID 95.00%
500MG
$ 796.95

AK Scientific
4-Oxo-4H-9-thia-1,4a-diaza-fluorene-3-carboxylicacid
5g
$ 1967.00

Total 5 raw suppliers

Chemical Property of 4-Oxo-4H-9-thia-1,4a-diaza-fluorene-3-carboxylic acid

Chemical Property:

PSA：99.91000
LogP:1.60740
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:246.00991323
Heavy Atom Count:17
Complexity:458

Purity/Quality:

99%, ^*data from raw suppliers

4-Oxo-4H-9-thia-1,4a-diaza-fluorene-3-carboxylic acid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C2C(=C1)N3C(=O)C(=CN=C3S2)C(=O)O

Technology Process of 4-Oxo-4H-9-thia-1,4a-diaza-fluorene-3-carboxylic acid

There total 6 articles about 4-Oxo-4H-9-thia-1,4a-diaza-fluorene-3-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:

: 136-95-8,102337-98-4,84293-42-5
2-amino-benzthiazole

: 21786-97-0
4-oxo-3-(4H-pyrimido<2,1-b>benzothiazole)carboxylic acid

Guidance literature:: Multi-step reaction with 3 steps

1: ethanol

2: diphenyl ether / 250 °C

3: aq. NaOH

With sodium hydroxide; In diphenylether; ethanol;
DOI:10.1021/jo01325a013

Reference yield:

: 21418-25-7
diethyl N-2-(benzothiazolyl)aminomethylenemalonate

: 21786-97-0
4-oxo-3-(4H-pyrimido<2,1-b>benzothiazole)carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: diphenyl ether / 250 °C

2: aq. NaOH

With sodium hydroxide; In diphenylether;
DOI:10.1021/jo01325a013