ChemicalBook--->CAS DataBase List--->31374-18-2

31374-18-2

31374-18-2 Structure

31374-18-2 Structure
IdentificationBack Directory
[Name]

7-CHLORO-4-QUINAZOLINOL
[CAS]

31374-18-2
[Synonyms]

7-CHLOROQUINAZOLIN-4-OL
7-CHLORO-4-QUINAZOLINOL
7-Chloroquinazolin-4-one
7-Chloro-4(3H)-quinazolone
7-Chloro-3H-quizolin-4-one
7-CHOROQUINAZOLIN-4(3H)-ONE
7-Chloroquinazolin-4(1H)-one
7-chloro-4(3H)-quinazolinone
7-Chloroquinazolin-4(3H)-one
7-chloro-1H-quinazolin-4-one
7-CHLORO-4(1H)-QUINAZOLINONE
7-CHLORO-4-HYDROXYQUINAZOLINE
4(3H)-Quinazolinone, 7-chloro-
7-Chloro-4(3H-quinazolin-4-one
Benzenesulfonylchloride,9-ethoxy-
7-Chloro-3H-quinazolin-4-one
7-CHLORO-4-QUINAZOLINOL###31374-18-2
7-chloro-1,4-dihydroquinazolin-4-one
7-Chloro-4-Hydroxyquinazoline(WX636185)
Cyclopropanamine,1-ethyl-,hydrochloride(1:5)
[EINECS(EC#)]

207-219-2
[Molecular Formula]

C8H5ClN2O
[MDL Number]

MFCD00115130
[MOL File]

31374-18-2.mol
[Molecular Weight]

180.59
Chemical PropertiesBack Directory
[Melting point ]

251-253 °C
[Boiling point ]

331.7±44.0 °C(Predicted)
[density ]

1.50±0.1 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,Room Temperature
[pka]

0.36±0.20(Predicted)
[Appearance]

Off-white to light brown Solid
[InChI]

InChI=1S/C8H5ClN2O/c9-5-1-2-6-7(3-5)10-4-11-8(6)12/h1-4H,(H,10,11,12)
[InChIKey]

PMLONMIODRHERC-UHFFFAOYSA-N
[SMILES]

N1C2=C(C=CC(Cl)=C2)C(=O)NC=1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H332-H335
[Precautionary statements ]

P261-P280-P305+P351+P338
[HS Code ]

2933998090
Hazard InformationBack Directory
[Synthesis Reference(s)]

Journal of the American Chemical Society, 68, p. 1305, 1946 DOI: 10.1021/ja01211a058
[Synthesis]

Formamidine acetate

3473-63-0

2-Amino-4-chlorobenzoic acid

89-77-0

7-CHLORO-4-QUINAZOLINOL

31374-18-2

The general procedure for the synthesis of 7-chloro-4(3H)-quinazolinone from formamidine acetate and 2-amino-4-chlorobenzoic acid was as follows: 10 g of 2-amino-4-chlorobenzoic acid (BB1) and 8 g of formamidine acetate (1.3 eq.) were added to a 100 ml eggplant flask and mixed thoroughly. The mixture was placed in a microwave reactor and reacted at 60% power for 4 min. After completion of the reaction, it was cooled to room temperature, 30 ml of water was added, stirred and the solid product was collected by filtration. The resulting product was 7-chloro-4(3H)-quinazolinone (BB2) in a yield of 10 g with 95% yield.

[References]

[1] Patent: CN103570738, 2016, B. Location in patent: Paragraph 0303; 0304; 0306
[2] Patent: CN103382182, 2016, B. Location in patent: Paragraph 0272-0275
[3] Patent: WO2012/88712, 2012, A1. Location in patent: Page/Page column 16
[4] MedChemComm, 2015, vol. 6, # 1, p. 222 - 229
Spectrum DetailBack Directory
[Spectrum Detail]

7-CHLORO-4-QUINAZOLINOL(31374-18-2)1HNMR
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