Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

2-Quinazolinecarboxylicacid, 3,4-dihydro-4-oxo-, ethyl ester

Related Products

Hot Products

Name

2-Quinazolinecarboxylicacid, 3,4-dihydro-4-oxo-, ethyl ester

EINECS N/A
CAS No. 29113-33-5 Density 1.34 g/cm3
PSA 72.05000 LogP 1.09980
Solubility Insoluble in water Melting Point 189-193 °C(lit.)
Formula C11H10N2O3 Boiling Point 363.7 °C at 760 mmHg
Molecular Weight 218.212 Flash Point 173.8 °C
Transport Information N/A Appearance cream solid
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 29113-33-5 (ETHYL 4-QUINAZOLONE-2-CARBOXYLATE) Hazard Symbols N/A
Synonyms

2-Quinazolinecarboxylicacid, 1,4-dihydro-4-oxo-, ethyl ester (9CI);2-(Ethoxycarbonyl)-4-oxo-3,4-dihydro-2-quinazoline;Ethyl 4-oxo-3,4-dihydroquinazoline-2-carboxylate;NSC 159700;

Article Data 20

2-Quinazolinecarboxylicacid, 3,4-dihydro-4-oxo-, ethyl ester Specification

The 2-Quinazolinecarboxylicacid, 3,4-dihydro-4-oxo-, ethyl ester, with the CAS registry number 29113-33-5, is also known as Ethyl 4-quinazolone-2-carboxylate. It belongs to the product categories of Building Blocks; Heterocyclic Building Blocks; Quinazolines. This chemical's molecular formula is C11H10N2O3 and molecular weight is 218.2087. Its IUPAC name is called ethyl 4-oxo-1H-quinazoline-2-carboxylate. When you are using this chemical, please be cautious about it. You should not breathe its dust. What's more, you must avoid contact with skin and eyes. The product should be sealed and stored in cool, dry and well-ventilated place.

Physical properties of 2-Quinazolinecarboxylicacid, 3,4-dihydro-4-oxo-, ethyl ester: (1)ACD/LogP: 1.31; (2)ACD/LogD (pH 5.5): 0.64; (3)ACD/LogD (pH 7.4): 0.64; (4)ACD/BCF (pH 5.5): 1.8; (5)ACD/BCF (pH 7.4): 1.79; (6)ACD/KOC (pH 5.5): 53.1; (7)ACD/KOC (pH 7.4): 52.58; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.622; (12)Molar Refractivity: 57.15 cm3; (13)Molar Volume: 162.2 cm3; (14)Surface Tension: 50.1 dyne/cm; (15)Density: 1.34 g/cm3; (16)Flash Point: 173.8 °C; (17)Enthalpy of Vaporization: 60.98 kJ/mol; (18)Boiling Point: 363.7 °C at 760 mmHg; (19)Vapour Pressure: 1.77E-05 mmHg at 25°C.

Uses of 2-Quinazolinecarboxylicacid, 3,4-dihydro-4-oxo-, ethyl ester: it can be used to produce 2-(4-methyl-piperazine-1-carbonyl)-3H-quinazolin-4-one with 1-methyl-piperazine at ambient temperature. This reaction will need reagents Na and methanol with reaction time of 1 hour. The yield is about 55%.

2-Quinazolinecarboxylicacid, 3,4-dihydro-4-oxo-, ethyl ester can be used to produce 2-(4-methyl-piperazine-1-carbonyl)-3H-quinazolin-4-one with 1-methyl-piperazine at ambient temperature

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)C1=NC(=O)C2=CC=CC=C2N1
(2)InChI: InChI=1S/C11H10N2O3/c1-2-16-11(15)9-12-8-6-4-3-5-7(8)10(14)13-9/h3-6H,2H2,1H3,(H,12,13,14)
(3)InChIKey: BMCAWNQKVVTNFP-UHFFFAOYSA-N

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 29113-33-5