4-Hydroxycinnoline-3-carboxylic acid supplier

Name
4-OXO-1H-CINNOLINE-3-CARBOXYLIC ACID
EINECS
CAS No. 53512-17-7
Density 1.56 g/cm³
Solubility
Melting Point 267-268 °C (decomp)
Formula C₉H₆N₂O₃
Boiling Point 427.6 °C at 760mmHg
Molecular Weight 190.158
Flash Point 212.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-oxo-1H-cinnoline-3-carboxylic acid;
PSA 83.31000
LogP 1.03360

Synthetic route

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

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

Conditions

Conditions	Yield
	93.2%

: 64-17-5
ethanol

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

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

Conditions

Conditions	Yield
With hydrogenchloride for 5h;	85%

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

: 875-66-1
cinnolin-4-ol

Conditions

Conditions	Yield
at 200℃; for 0.25h;	81.2%

: 100-39-0
benzyl bromide

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

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

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

Conditions

Conditions	Yield
With sodium hydroxide for 2h;	A 31.6% B 52.3%

...Expand

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

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

Conditions

Conditions	Yield
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

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

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

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 85 percent / HCl / 5 h 2: 87.6 percent / K2CO3 / 10 h / Heating View Scheme

: 4597-87-9
2-(N-methylamino)pyridine

ethylacetate-methanol: ethylacetate-methanol

: 541-41-3
chloroformic acid ethyl ester

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

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

Conditions

Conditions	Yield
triethylamine In dichloromethane; ethyl acetate

...Expand

: 462-08-8
pyridin-3-ylamine

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

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

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

Conditions

Conditions	Yield
With thionyl chloride In 1,1-dichloroethane

...Expand

4-Hydroxycinnoline-3-carboxylic acid Specification

The 4-Hydroxycinnoline-3-carboxylic acid, with the CAS registry number 53512-17-7, has the IUPAC name 4-oxo-1H-cinnoline-3-carboxylic acid. Its molecular formula is C₉H₆N₂O₃and its molecular weight is 190.16.

Other characteristics of the 4-Hydroxycinnoline-3-carboxylic acid can be summarised as followings: (1)ACD/LogP: 0.20; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 58.97 Å²; (11)Index of Refraction: 1.71; (12)Molar Refractivity: 47.58 cm³; (13)Molar Volume: 121.7 cm³; (14)Polarizability: 18.86×10^-24cm³; (15)Surface Tension: 67.4 dyne/cm; (16)Density: 1.56 g/cm³; (17)Flash Point: 212.4 °C; (18)Enthalpy of Vaporization: 71.96 kJ/mol; (19)Boiling Point: 427.6 °C at 760 mmHg; (20)Vapour Pressure: 4.5E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C\2c1c(cccc1)N/N=C/2C(=O)O
2.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)
3.InChIKey: ZIPLRYYWAXPVMG-UHFFFAOYAU

Product Name

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

Synthetic route

4-Hydroxycinnoline-3-carboxylic acid Specification

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