ChemicalBook--->CAS DataBase List--->29874-83-7

29874-83-7

29874-83-7 Structure

29874-83-7 Structure
IdentificationBack Directory
[Name]

2-CHLORO-4-PHENYLQUINAZOLINE
[CAS]

29874-83-7
[Synonyms]

quinazoL
oro-4-phenyL
2-CHLORO-4-PHENYLQUIZOLINE
2-CHLORO-4-PHENYLQUINAZOLIN
2-CHLORO-4-PHENYLQUINAZOLINE
2-Chloro-4-phenylq inazollne
Quinazoline,2-chloro-4-phenyl-
2-CHLORO-4-PHENYLQUINAZOLINE ISO 9001:2015 REACH
[EINECS(EC#)]

201-615-9
[Molecular Formula]

C14H9ClN2
[MDL Number]

MFCD01152724
[MOL File]

29874-83-7.mol
[Molecular Weight]

240.69
Chemical PropertiesBack Directory
[Melting point ]

113.0 to 117.0 °C
[Boiling point ]

347.4±30.0 °C(Predicted)
[density ]

1.285±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,2-8°C
[form ]

powder to crystal
[pka]

0.24±0.30(Predicted)
[color ]

White to Orange to Green
[InChI]

InChI=1S/C14H9ClN2/c15-14-16-12-9-5-4-8-11(12)13(17-14)10-6-2-1-3-7-10/h1-9H
[InChIKey]

SFKMVPQJJGJCMI-UHFFFAOYSA-N
[SMILES]

N1=C2C(C=CC=C2)=C(C2=CC=CC=C2)N=C1Cl
Questions And AnswerBack Directory
[Uses]

2-Chloro-4-phenylquinazoline acts as a reagent in the synthesis of MTH1 inhibitors that are potential cancer eradicators.
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P280-P305+P351+P338
[HS Code ]

2933998090
Spectrum DetailBack Directory
[Spectrum Detail]

2-CHLORO-4-PHENYLQUINAZOLINE(29874-83-7)1HNMR
Hazard InformationBack Directory
[Synthesis]

Synthesis_29874-83-7
A 2 L flask was charged with 35.0 g (175.8 mmol) of 2,4-dichloroquinoline,22.5 g (184.6 mmol) of phenylboronic acid, 6.1 g (5.3 mmol) of tetrakis(triphenylphosphine)palladium(0) were added to 800 mL of tetrahydrofuran and 400 mL of water, and the mixture was heated to 60 ?? C for 12 hours under a nitrogen stream. . The resulting mixture was added to methanol (3000 mL), and the crystallized solid was filtered and dissolved in toluene, filtered through silica gel / celite, and the organic solvent was removed in an appropriate amount, and then recrystallization from methanol gave Intermediate I-A52-1 (36.8 g, 87% yield).
[References]

[1] Patent: KR2017/10582, 2017, A. Location in patent: Paragraph 0251-0254
[2] Patent: KR2016/74426, 2016, A. Location in patent: Paragraph 0162; 0163; 0164; 0165
[3] Patent: KR2017/97450, 2017, A. Location in patent: Paragraph 0317-0319; 0337-0339
[4] Patent: WO2012/67425, 2012, A1. Location in patent: Page/Page column 39-40
[5] Patent: WO2012/36482, 2012, A1. Location in patent: Page/Page column 27-28
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