Name: 2,3-Dihydro-5H-oxazolo[2,3-b]quinazolin-5-one
SKU: 52727-44-3

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Basic Information

Molecular Structure:
CAS No.:	52727-44-3
Name:	2,3-Dihydro-5H-oxazolo[2,3-b]quinazolin-5-one
Article Data:	10

Formula:	C₁₀H₈N₂O₂
Molecular Weight:	188.186
Synonyms:	2,3-Dihydro-[1,3]oxazolo[2,3-b]quinazolin-5-one;
Density:	1.478 g/cm³
Melting Point:	160-163 °C(lit.)
Boiling Point:	330.046 °C at 760 mmHg
Flash Point:	153.407 °C
PSA:	44.12000
LogP:	0.78890

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Specification

The 2,3-Dihydro-5H-oxazolo[2,3-b]quinazolin-5-one, with the CAS registry number 52727-44-3, is also known as 5H-Oxazolo[2,3-b]quinazolin-5-one, 2,3-dihydro-. It belongs to the product categories of Building Blocks; Heterocyclic Building Blocks; Quinazolines. This chemical's molecular formula is C₁₀H₈N₂O₂ and molecular weight is 188.18. What's more, its IUPAC name is called 2,3-Dihydro-[1,3]oxazolo[2,3-b]quinazolin-5-one. It should be stored in a cool, dry and well-ventilated place.

Physical properties about 2,3-Dihydro-5H-oxazolo[2,3-b]quinazolin-5-one are: (1)ACD/LogP: 0.378; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.38; (4)ACD/LogD (pH 7.4): 0.38; (5)ACD/BCF (pH 5.5): 1.14; (6)ACD/BCF (pH 7.4): 1.14; (7)ACD/KOC (pH 5.5): 38.26; (8)ACD/KOC (pH 7.4): 38.26; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 41.9 Å²; (13)Index of Refraction: 1.719; (14)Molar Refractivity: 50.232 cm³; (15)Molar Volume: 127.287 cm³; (16)Polarizability: 19.913×10^-24cm³; (17)Surface Tension: 60.348 dyne/cm; (18)Density: 1.478 g/cm³; (19)Flash Point: 153.407 °C; (20)Enthalpy of Vaporization: 57.259 kJ/mol; (21)Boiling Point: 330.046 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

Preparation of 2,3-Dihydro-5H-oxazolo[2,3-b]quinazolin-5-one: this chemical can be prepared by 2-amino-benzamide with 1-chloro-2-isocyanato-ethane. The reaction occurs with solvent methanol and other condition of heating for 24 hours. The yield is 82 %.

2,3-Dihydro-5H-oxazolo[2,3-b]quinazolin-5-one can be prepared by 2-amino-benzamide with 1-chloro-2-isocyanato-ethane.

Uses of 2,3-Dihydro-5H-oxazolo[2,3-b]quinazolin-5-one: it is used to produce other chemicals. For example, it can react with acetic acid to get 3-(2-acetoxyethyl)-2,4(1H,3H)-quinazolinedione. The reaction needs heating for 15 min. The yield is 93 %.

2,3-Dihydro-5H-oxazolo[2,3-b]quinazolin-5-one can react with acetic acid to get 3-(2-acetoxyethyl)-2,4(1H,3H)-quinazolinedione.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C2c3c(/N=C1/OCCN12)cccc3
(2) InChI: InChI=1S/C10H8N2O2/c13-9-7-3-1-2-4-8(7)11-10-12(9)5-6-14-10/h1-4H,5-6H2
(3) InChIKey: QBEBJBXQJGORQQ-UHFFFAOYSA-N