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53512-17-7

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53512-17-7 Usage

General Description

4-OXO-1H-CINNOLINE-3-CARBOXYLIC ACID is a chemical compound with the molecular formula C9H5NO3. It is a yellow to orange crystalline powder that is soluble in organic solvents but insoluble in water. 4-OXO-1H-CINNOLINE-3-CARBOXYLIC ACID has potential applications in the pharmaceutical industry, particularly in the development of antiviral and antitumor agents. It is also used as a building block in the synthesis of various organic compounds. Additionally, 4-OXO-1H-CINNOLINE-3-CARBOXYLIC ACID has been studied for its potential bioactivities, including antioxidant and anti-inflammatory properties.

Check Digit Verification of cas no

The CAS Registry Mumber 53512-17-7 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,3,5,1 and 2 respectively; the second part has 2 digits, 1 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 53512-17:
(7*5)+(6*3)+(5*5)+(4*1)+(3*2)+(2*1)+(1*7)=97
97 % 10 = 7
So 53512-17-7 is a valid CAS Registry Number.
InChI:InChI=1/C9H6N2O3/c12-8-5-3-1-2-4-6(5)10-11-7(8)9(13)14/h1-4H,(H,10,12)(H,13,14)

53512-17-7SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-OXO-1H-CINNOLINE-3-CARBOXYLIC ACID

1.2 Other means of identification

Product number -
Other names 4-oxo-1,4-dihydro-cinnoline-3-carboxylic acid

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:53512-17-7 SDS

53512-17-7Synthetic route

4-amino-3-cinnolinecarboxylic acid
143232-59-1

4-amino-3-cinnolinecarboxylic acid

4-Hydroxy-cinnoline-3-carboxylic acid
53512-17-7

4-Hydroxy-cinnoline-3-carboxylic acid

Conditions
ConditionsYield
93.2%
ethanol
64-17-5

ethanol

4-Hydroxy-cinnoline-3-carboxylic acid
53512-17-7

4-Hydroxy-cinnoline-3-carboxylic acid

4-oxo-1,4-dihydro-cinnoline-3-carboxylic acid ethyl ester
37967-71-8

4-oxo-1,4-dihydro-cinnoline-3-carboxylic acid ethyl ester

Conditions
ConditionsYield
With hydrogenchloride for 5h;85%
4-Hydroxy-cinnoline-3-carboxylic acid
53512-17-7

4-Hydroxy-cinnoline-3-carboxylic acid

cinnolin-4-ol
875-66-1

cinnolin-4-ol

Conditions
ConditionsYield
at 200℃; for 0.25h;81.2%
benzyl bromide
100-39-0

benzyl bromide

4-Hydroxy-cinnoline-3-carboxylic acid
53512-17-7

4-Hydroxy-cinnoline-3-carboxylic acid

A

2-benzyl-4-oxo-1,4-dihydro-cinnolinium betaine
5155-71-5

2-benzyl-4-oxo-1,4-dihydro-cinnolinium betaine

B

1-benzyl-1,4-dihydro-4-oxocinnoline-3-carboxylic acid

1-benzyl-1,4-dihydro-4-oxocinnoline-3-carboxylic acid

Conditions
ConditionsYield
With sodium hydroxide for 2h;A 31.6%
B 52.3%
4-Hydroxy-cinnoline-3-carboxylic acid
53512-17-7

4-Hydroxy-cinnoline-3-carboxylic acid

1-benzyl-1,4-dihydro-4-oxocinnoline-3-carboxylic acid

1-benzyl-1,4-dihydro-4-oxocinnoline-3-carboxylic acid

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 85 percent / HCl / 5 h
2: 87.6 percent / K2CO3 / 10 h / Heating
3: 78.6 percent / 1 M NaOH / ethanol / 1 h / Heating
View Scheme
4-Hydroxy-cinnoline-3-carboxylic acid
53512-17-7

4-Hydroxy-cinnoline-3-carboxylic acid

ethyl 1-benzyl-4-oxo-1,4-dihydrocinnoline-3-carboxylate
213386-52-8

ethyl 1-benzyl-4-oxo-1,4-dihydrocinnoline-3-carboxylate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 85 percent / HCl / 5 h
2: 87.6 percent / K2CO3 / 10 h / Heating
View Scheme
2-(N-methylamino)pyridine
4597-87-9

2-(N-methylamino)pyridine

ethylacetate-methanol

ethylacetate-methanol

chloroformic acid ethyl ester
541-41-3

chloroformic acid ethyl ester

4-Hydroxy-cinnoline-3-carboxylic acid
53512-17-7

4-Hydroxy-cinnoline-3-carboxylic acid

4-hydroxy-N-methyl-N-(pyridin-2-yl)-cinnoline-3-carboxamide

4-hydroxy-N-methyl-N-(pyridin-2-yl)-cinnoline-3-carboxamide

Conditions
ConditionsYield
triethylamine In dichloromethane; ethyl acetate
pyridin-3-ylamine
462-08-8

pyridin-3-ylamine

2,2,2-trichloroethyl acetate
625-24-1

2,2,2-trichloroethyl acetate

4-Hydroxy-cinnoline-3-carboxylic acid
53512-17-7

4-Hydroxy-cinnoline-3-carboxylic acid

4-hydroxy-N-(pyridin-3-yl)-cinnoline-3-carboxamide
117484-20-5

4-hydroxy-N-(pyridin-3-yl)-cinnoline-3-carboxamide

Conditions
ConditionsYield
With thionyl chloride In 1,1-dichloroethane

53512-17-7Relevant articles and documents

Synthesis, structures and biological activity of some 4-amino-3-cinnoline-carboxylic acid derivatives. Part 2

Stanczak,Lewgowd,Ochocki,Pakulska,Szadowska

, p. 91 - 97 (2007/10/03)

6,7,8-Substituted 4-amino-3-cinnolinecarboxylic acids 1 were condensed with amines to the corresponding 4-amino-3-cinnolinecarboxamides 7, 8. A variety of pharmacological tests showed a significant CNS activity of some new amides. Decarboxylation of 4-amino-3-cinnolinecarboxylic acids 1 yielded the corresponding 4-aminocinnolines 4 and alkaline hydrolysis of 1 gave 4-oxo-3-cinnolinecarboxylic acids 2. The acids 1 were converted into pyrimido[5,4-c]cinnolines 6 on two ways of synthesis.

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