765249-38-5|4-Oxo-3,4-dihydroquinazoline-6,7-diyl diacetate| Ambeed

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CAS No. :	765249-38-5
Formula :	C₁₂H₁₀N₂O₅
M.W :	262.22
SMILES Code :	O=C1NC=NC2=C1C=C(OC(C)=O)C(OC(C)=O)=C2

Yield	Reaction Conditions	Operation in experiment
92.5%	With pyridine; at 120 - 125℃; for 2h;	(ii) Preparation of 6,7-diacetoxy-4 (3H)-quinazolinone of formula (10)Into a 1.0 L four necked round bottomed flask equipped with a mechanical stirrer, reflux condenser and thermometer socket are charged acetic anhydride (600 g), pyridine (4 ml) followed by 6,7-dihydroxy-4 (3H)-quinazolinone (100 g) obtained by the process described in step (i) above. The reaction mass was heated to 120 C. and maintained for 2 hours at 120-125 C. After completion of the maintenance period, distilled off the solvent under vacuum. Cooled the reaction mass to 25-35 and water (1000 ml) was added, stirred for 1 hour, filtered the product and washed the cake with water and dried to get 136.2 g (92.5% by theory) of 6,7-diacetoxy-4 (3H)-quinazolinone as off-white crystalline solid.Purity: 99.0% (by HPLC).Melting range: 235-237 C.IR ((KBr): 3128, 3044, 2930, 2882, 1779, 1693, 1660, 1620, 1479, 1372, 1280, 1209, 1163, 929, and 914 cm-1.1H NMR (300 MHz, DMSO-d6): 2.3-2.32 (s, 6H); 7.58 (s, 1H); 7.95 (s, 1H); 8.12 (d, 1H); 12.39 (br. s, 1H).13C NMR (75 MHz, DMSO-d6): 20.14, 20.31, 115.8, 118.5, 124, 140.9, 144.2, 145.7, 150.1, 160.4, and 168.6.Mass: (M+1): 263.
83.4%	With pyridine; at 20 - 25℃;Inert atmosphere;	(2)Compound b (5 g, 1.0 eq) and pyridine (50 ml) were added to a three-neck bottle.Acetic anhydride (2.5 eq) was added under controlled nitrogen at a controlled temperature of less than 20 C.After the addition, the reaction was kept for 1 h, and the temperature was raised to 25 C for 4-6 h.After the reaction was completed, the reaction solution was poured into ice water, and 3N hydrochloric acid was adjusted to pH 6-7.Extracted with DCM and dried over anhydrous sodium sulfate.The organic phase was concentrated to dryness over a flash column to afford 6.14 g of Compound C.
83.4%	With pyridine; at 20 - 25℃;Inert atmosphere;	(2) Compound b (5 g, 1.0 eq) and pyridine (50 ml) were added to a three-necked flask, and acetic anhydride (2.5 eq) was added under a nitrogen atmosphere at a controlled temperature of less than 20 C. After the addition, the reaction was incubated for 1 h, and the temperature was raised to 25 C for 4-6 h. After the reaction was completed, the reaction solution was poured into ice water, and 3N hydrochloric acid was adjusted to pH 6-7, extracted with DCM, dried over anhydrous sodium sulfate and concentrated organic. To dryness, over a flash column gave 6.14 g of Compound C. Yield: 83.4%.

80%	With pyridine; at 130℃; for 6h;	7.6 g of the resulting product 6,7-dihydrox- yquinazolinone synthesized in step 2 was added with 40 ml of acetic anhydride and 1 ml of pyridine, and then the system was heated to 130 C., refluxed and reacted for 6 hrs and cooled to room temperature. The reaction solution was poured into 100 ml of water andstirred, and a large amount of grey solids was precipitated. The mixture was filtered. The filter cake was washed with a small amount of water and dried to obtain 9 g of the resulting product 6,7-diacetoxylquinazolinone (80%).10093] ?H NMR (400 MHz, DM50) oe 12.41 (s, 1H), 8.13 (s, 1H), 7.97 (s, 1H), 7.60 (s, 1H), 2.34 (s, 3H), 2.32 (s, 3H)
53%	With pyridine; at 120℃; for 2h;Heating / reflux;	To 6,7-dihydroxy- 4(3H)-quinazolinone, 11 (2.20 g, 12.2 mmol) was added Ac2O (13.3 ml) and a drop of pyridine and the reaction mixture was heated to reflux at 12O0C for 2 h. The reaction mixture was cooled to room temperature and the solvent was distilled off under reduced pressure. The residue was taken up in water and stirred for an hour at room <n="31"/>temperature. The solid obtained was filtered and dried to give 6,7-diacetoxy-4(3H)- quinazolinone 12 as an off-white crystalline solid (1.70 g, 53%).
53%	pyridine; at 120℃; for 2h;	Step 2. 6,7-Diacetoxy-4(3H)-quinazolinone (12). To 6,7-dihydroxy-4(3H)- quinazolinone 11 (2.2O g, 12.2 mmol) was added Ac2O (13.3 ml) and a drop of pyridine and the resulting reaction mixture was heated to reflux at 120 0C for 2 hours. The reaction mixture was cooled to room temperature and the solvent was removed under reduced pressure. The residue was taken up in water and the mixture stirred for 1 hour at room temperature. The resulting precipitate was filtered and dried to give 6,7-diacetoxy-4(3H)-quinazolinone 12 as an off-white crystalline solid (1.70 g, 53%).

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CAS No.: 765249-38-5

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CAS No.: 765249-38-5

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Physical hazards
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H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
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H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
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