ChemicalBook--->CAS DataBase List--->29509-91-9

29509-91-9

29509-91-9 Structure

29509-91-9 Structure
IdentificationBack Directory
[Name]

4-CHLORO-2,6-DIPHENYLPYRIMIDINE
[CAS]

29509-91-9
[Synonyms]

4-CDPP
4-CHLORO-2,6-DIPHENYLPYRIMIDINE
6-CHLORO-2,4-DIPHENYLPYRIMIDINE
2,6-diphenylpyrimidine-4-chloride
Pyrimidine, 4-chloro-2,6-diphenyl-
4-CHLORO-2,6-DIPHENYLPYRIMIDINE ISO 9001:2015 REACH
[Molecular Formula]

C16H11ClN2
[MDL Number]

MFCD00234890
[MOL File]

29509-91-9.mol
[Molecular Weight]

266.72
Chemical PropertiesBack Directory
[Melting point ]

104-105℃
[Boiling point ]

339.2±35.0 °C(Predicted)
[density ]

1.221
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[form ]

powder to crystal
[pka]

-0.99±0.30(Predicted)
[color ]

White to Almost white
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
[HS Code ]

2933.59.8000
Hazard InformationBack Directory
[Chemical Properties]

White solid
[Synthesis Reference(s)]

Journal of Medicinal Chemistry, 47, p. 6529, 2004 DOI: 10.1021/jm049448r
[Synthesis]

2,4,6-Trichloropyrimidine

3764-01-0

(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZENE

24388-23-6

4-CHLORO-2,6-DIPHENYLPYRIMIDINE

29509-91-9

Using 2,4,6-trichloropyrimidine (10 g, 54.5 mmol) and (4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene (22.3 g, 109 mmol) as raw material, catalyzed by tetrakis(triphenylphosphine)palladium (3.8 g, 3.27 mmol) in a mixed solvent of THF (240 mL) and water (120 mL). Potassium carbonate (45.2 g) was added and the reaction was stirred at 90 °C. Upon completion of the reaction, extraction was carried out with dichloromethane and water. The organic layer was dried with anhydrous magnesium sulfate and concentrated. Purified by silica gel column chromatography and recrystallization, 9.5 g of 4-chloro-2,6-diphenylpyrimidine was obtained in 65% yield.

[References]

[1] Patent: KR2017/127593, 2017, A. Location in patent: Paragraph 0400-0402
[2] Patent: KR2017/120233, 2017, A. Location in patent: Paragraph 0511; 0512
[3] Patent: US2018/251473, 2018, A1. Location in patent: Paragraph 0253; 0254
[4] Patent: US2018/282276, 2018, A1. Location in patent: Paragraph 0222; 0223
Spectrum DetailBack Directory
[Spectrum Detail]

4-CHLORO-2,6-DIPHENYLPYRIMIDINE(29509-91-9)1HNMR
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