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CAS No.: | 179688-01-8 |
---|---|
Name: | 6-Methoxy-7-benzyloxyquinazolin-4-one |
Article Data: | 49 |
Molecular Structure: | |
Formula: | C16H14N2O3 |
Molecular Weight: | 282.299 |
Synonyms: | 4(1H)-Quinazolinone,6-methoxy-7-(phenylmethoxy)- (9CI);6-Methoxy-7-benzyloxy-3H-quinazolin-4-one;7-(benzyloxy)-6-methoxyquinazolin-4(3H)-one;7-Benzyloxy-6-methoxy-3,4-dihydroquinazolin-4-one;7-Benzyloxy-6-methoxy-3H-quinazolin-4-one;7-Benzyloxy-6-methoxy-4(1H)-quinazolinone; |
EINECS: | 807-946-0 |
Density: | 1.263 g/cm3 |
Melting Point: | 266 °C |
Boiling Point: | 475.366 °C at 760 mmHg |
Flash Point: | 241.293 °C |
PSA: | 64.21000 |
LogP: | 2.51070 |
formamidine acetic acid
2-amino-4-benzyloxy-5-methoxybenzoic acid benzyl ester
7-(benzyloxy)-6-methoxyquinazolin-4(3H)-one
Conditions | Yield |
---|---|
In 2-methyl-propan-1-ol at 97℃; for 6h; Product distribution / selectivity; | 98% |
In 2-methyl-propan-1-ol at 97℃; for 6h; | 98% |
In iso-butanol at 95℃; for 6h; | 86% |
methyl 2-amino-4-(benzyloxy)-5-methoxybenzoate
formamide
7-(benzyloxy)-6-methoxyquinazolin-4(3H)-one
Conditions | Yield |
---|---|
With ammonium formate at 180 - 190℃; for 2h; | 95% |
With ammonium formate at 150℃; for 3h; | 81% |
With ammonium formate | |
at 190℃; for 5h; |
C16H14N2O2
7-(benzyloxy)-6-methoxyquinazolin-4(3H)-one
Conditions | Yield |
---|---|
With peracetic acid; sulfuric acid In ethanol at 60℃; for 3h; | 95% |
formamide
2-amino-4-benzyloxy-5-methoxybenzoic acid benzyl ester
7-(benzyloxy)-6-methoxyquinazolin-4(3H)-one
Conditions | Yield |
---|---|
at 190℃; for 5h; | 87% |
With ammonium formate at 150℃; for 4h; | 81% |
Gold's reagent
2-amino-4-benzyloxy-5-methoxybenzamide
7-(benzyloxy)-6-methoxyquinazolin-4(3H)-one
Conditions | Yield |
---|---|
Stage #1: Gold's reagent; 2-amino-4-benzyloxy-5-methoxybenzamide In 1,4-dioxane for 12h; Reflux; Stage #2: With sodium acetate; acetic acid In 1,4-dioxane for 3h; Reflux; | 87% |
Stage #1: Gold's reagent; 2-amino-4-benzyloxy-5-methoxybenzamide In 1,4-dioxane for 24h; Heating / reflux; Stage #2: With sodium acetate; acetic acid In 1,4-dioxane for 3h; Heating / reflux; | 84% |
Stage #1: Gold's reagent; 2-amino-4-benzyloxy-5-methoxybenzamide In 1,4-dioxane for 24h; Heating / reflux; Stage #2: With sodium acetate; acetic acid In 1,4-dioxane for 3h; Heating; | 84% |
2-amino-4-benzyloxy-5-methoxybenzamide
7-(benzyloxy)-6-methoxyquinazolin-4(3H)-one
Conditions | Yield |
---|---|
With sodium acetate; acetic acid In 1,4-dioxane for 24h; Heating / reflux; | 84% |
With sodium acetate; acetic acid In 1,4-dioxane; water | 84% |
With sodium acetate; acetic acid In 1,4-dioxane; water | 84% |
[3-(dimethylamino)-2-azaprop-2-en-1-ylidene]-dimethylammonium chloride
2-amino-4-benzyloxy-5-methoxybenzamide
7-(benzyloxy)-6-methoxyquinazolin-4(3H)-one
Conditions | Yield |
---|---|
Stage #1: [3-(dimethylamino)-2-azaprop-2-en-1-ylidene]-dimethylammonium chloride; 2-amino-4-benzyloxy-5-methoxybenzamide In 1,4-dioxane for 24h; Heating / reflux; Stage #2: With sodium acetate; acetic acid In 1,4-dioxane for 3h; Heating / reflux; | 84% |
With sodium acetate; acetic acid In 1,4-dioxane; water | |
With sodium acetate; acetic acid In 1,4-dioxane; water |
7-(benzyloxy)-6-methoxyquinazolin-4(3H)-one
Conditions | Yield |
---|---|
With sodium acetate; acetic acid In 1,4-dioxane; water | 84% |
sodium acetate
acetic acid
2-amino-4-benzyloxy-5-methoxybenzamide
7-(benzyloxy)-6-methoxyquinazolin-4(3H)-one
Conditions | Yield |
---|---|
Stage #1: 2-amino-4-benzyloxy-5-methoxybenzamide With Gold's reagent In 1,4-dioxane for 24h; Heating / reflux; Stage #2: sodium acetate; acetic acid In 1,4-dioxane for 3h; Heating / reflux; | 84% |
orthoformic acid triethyl ester
2-amino-4-benzyloxy-5-methoxybenzoic acid benzyl ester
7-(benzyloxy)-6-methoxyquinazolin-4(3H)-one
Conditions | Yield |
---|---|
With ammonium acetate for 4h; Reflux; | 71% |
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The 6-Methoxy-7-benzyloxyquinazolin-4-one with molecular formula of C16H14N2O3 is also known as 7-Benzyloxy-6-methoxyquinazolin-4-one which is also its systematic name. Its cas registry number 179688-01-8. Its IUPAC name is called 6-methoxy-7-phenylmethoxy-1H-quinazolin-4-one .
Physical properties about this chemical are: (1) ACD/LogP: 2.08 ; (2) # of Rule of 5 Violations: 0 ; (3) ACD/LogD (pH 5.5): 3 ; (4) ACD/LogD (pH 7.4): 3 ; (5) ACD/BCF (pH 5.5): 47 ; (6) ACD/BCF (pH 7.4): 47 ; (7) ACD/KOC (pH 5.5): 550 ; (8) ACD/KOC (pH 7.4): 550 ; (9) #H bond acceptors: 5 ; (10) #H bond donors: 1 ; (11) #Freely Rotating Bonds: 4 ; (12) Polar Surface Area: 59.92 Å2 ; (13) Index of Refraction: 1.617 ; (14) Molar Refractivity: 78.189 cm3 ; (15) Molar Volume: 223.473 cm3 ; (16) Surface Tension: 46.553 dyne/cm ; (17) Density: 1.263 g/cm3 ; (18) Flash Point: 241.293 °C ; (19) Enthalpy of Vaporization: 73.887 kJ/mol ; (20) Boiling Point: 475.366 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1) SMILES:O=C3\N=C/Nc2cc(OCc1ccccc1)c(OC)cc23;
(2) InChI:InChI=1/C16H14N2O3/c1-20-14-7-12-13(17-10-18-16(12)19)8-15(14)21-9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,17,18,19);
(3) InChIKey:ZCUFFSHMOAEEIL-UHFFFAOYAK