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Cas Database |
| Name |
7-Chloroquinazolin-4(3H)-one |
EINECS | 207-219-2 |
| CAS No. | 31374-18-2 | Density | 1.5 g/cm3 |
| PSA | 46.01000 | LogP | 1.98880 |
| Solubility | N/A | Melting Point |
251-253 °C |
| Formula | C8H5ClN2O | Boiling Point | 331.7 °C at 760 mmHg |
| Molecular Weight | 180.593 | Flash Point | 154.4 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
7-Chloro-4(3H)-quinazolinone;7-Chloro-4(3H)-quinazolone;7-Chloro-4-quinazolinol;7-Chloroquinazolin-4-one;NSC 44057;4(1H)-Quinazolinone,7-chloro- (6CI,9CI);7-Chloro-3,4-dihydroquinazolin-4-one;7-Chloro-3H-quinazolin-4-one; |
Article Data | 79 |
7-Chloroquinazolin-4(3H)-one Synthetic route
- 77287-34-4, 77287-35-5, 60100-09-6
formamide
- 89-77-0
2-Amino-4-chlorobenzoic acid
- 31374-18-2
7-chloro-3,4-dihydroquinazolin-4-one
| Conditions | Yield |
|---|---|
| With acetic acid; diethylamine at 150℃; for 2h; Product distribution / selectivity; | 96.1% |
| With montmorillonite K-10 for 0.0666667h; microwave irradiation; | 94% |
| at 130 - 160℃; for 5h; | 90.7% |
- 3473-63-0
formamidine acetic acid
- 89-77-0
2-Amino-4-chlorobenzoic acid
- 31374-18-2
7-chloro-3,4-dihydroquinazolin-4-one
| Conditions | Yield |
|---|---|
| In water Microwave irradiation; | 95% |
| In 2-methoxy-ethanol at 120℃; for 16h; | 88.1% |
| In 2-methoxy-ethanol Reflux; | |
| In 2-methoxy-ethanol for 18h; Reflux; | |
| In 2-methoxy-ethanol at 130℃; |
| Conditions | Yield |
|---|---|
| With cobalt(II) nitrate hexahydrate; tris(2-diphenylphosphinoethyl)phosphine; water; caesium carbonate at 150℃; for 36h; Inert atmosphere; Sealed tube; | 92% |
- 64392-62-7
formamidinium acetate
- 89-77-0
2-Amino-4-chlorobenzoic acid
- 31374-18-2
7-chloro-3,4-dihydroquinazolin-4-one
| Conditions | Yield |
|---|---|
| In 2-methoxy-ethanol for 1.5h; Heating; | 89% |
- 77287-34-4, 77287-35-5, 60100-09-6
formamide
- 31374-18-2
7-chloro-3,4-dihydroquinazolin-4-one
| Conditions | Yield |
|---|---|
| at 130 - 190℃; for 4.5h; | 87.7% |
- 153437-17-3
6-amino-7-methoxy-4-(3'-methylanilino)quinazoline
- 111-90-0
ethoxyethoxyethanol
- 89-77-0
2-Amino-4-chlorobenzoic acid
- 31374-18-2
7-chloro-3,4-dihydroquinazolin-4-one
| Conditions | Yield |
|---|---|
| With formamide | 85% |
| Conditions | Yield |
|---|---|
| With copper(l) iodide; oxygen; caesium carbonate at 20℃; for 16h; Irradiation; | 85% |
| With [Cp*Ir(2,2′-bpyO)(H2O)]; caesium carbonate at 130℃; for 2h; Microwave irradiation; Green chemistry; | 70% |
| With [Cp*Ir(2,2'-bpyO)(H2O)]; caesium carbonate at 130℃; for 2h; Inert atmosphere; Microwave irradiation; | 70% |
| With oxygen; copper(II) acetate monohydrate; caesium carbonate at 110℃; for 6h; | 68% |
- 5900-58-3
2-amino-4-chloro-benzoic acid methyl ester
- 77287-34-4, 77287-35-5, 60100-09-6
formamide
- 31374-18-2
7-chloro-3,4-dihydroquinazolin-4-one
| Conditions | Yield |
|---|---|
| With acetic acid; diethylamine at 150℃; for 2h; Product distribution / selectivity; | 84.1% |
| With formic acid at 145℃; for 12h; | 81% |
| Niementowski Quinazolone Synthesis; | |
| for 10h; Reflux; |
| Conditions | Yield |
|---|---|
| In 1,4-dioxane at 120℃; for 14h; Green chemistry; | 83% |
- 6313-33-3
formamidine hydrochloride
- 89-77-0
2-Amino-4-chlorobenzoic acid
- 31374-18-2
7-chloro-3,4-dihydroquinazolin-4-one
| Conditions | Yield |
|---|---|
| at 210℃; for 0.25h; Cycloaddition; | 81% |
7-Chloroquinazolin-4(3H)-one Specification
The 7-Chloroquinazolin-4(3H)-one, its cas register number is 31374-18-2. It also can be called as 4(3H)-Quinazolinone,7-chloro- and the IUPAC name about this chemical is 7-chloro-1H-quinazolin-4-one. It belongs to the following product categories, such as Alcohols and Derivatives and Heterocycles.
Physical properties about 7-Chloroquinazolin-4(3H)-one are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 3; (6)#H bond donors: 1; (7)Polar Surface Area: 46.01Å2; (8)Index of Refraction: 1.71; (9)Molar Refractivity: 47.055 cm3; (10)Molar Volume: 120.377 cm3; (11)Polarizability: 18.654x10-24cm3; (12)Surface Tension: 71.697 dyne/cm; (13)Enthalpy of Vaporization: 62.939 kJ/mol
Preparation: this chemical can be prepared by formamide and 2-amino-4-chloro-benzoic acid. This reaction will need reagent montmorillonite K-10 and microwave irradiation. The reaction time is 4 min. The yield is about 94 %.
Uses of 7-chloro-3H-quinazolin-4-one : it can be used to react with 4-bromo-butyric acid ethyl ester to produce 4-(7-chloro-4-oxo-4H-quinazolin-3-yl)-butyric acid ethyl ester. This reaction is a kind of Alkylation. It will need reagent dimethylformamide and K2CO3. The reaction time is 10 hour(s) with reaction temperature of 70 ℃. The yield is about 97 %.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC2=C(C=C1Cl)NC=NC2=O
(2)InChI: InChI=1S/C8H5ClN2O/c9-5-1-2-6-7(3-5)10-4-11-8(6)12/h1-4H,(H,10,11,12)
(3)InChIKey: PMLONMIODRHERC-UHFFFAOYSA-N
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