(2-((2,5-Dichloropyrimidin-4-yl)amino)phenyl)dimethylphosphine oxide

CAS NO.：1197953-49-3
Empirical Formula: C12H12Cl2N3OP
Molecular Weight: 316.12
MDL number: MFCD29477700
EINECS: 1592732-453-0
SAFETY DATA SHEET (SDS)
Update Date: 2025-08-08 17:45:00

What is (2-((2,5-Dichloropyrimidin-4-yl)amino)phenyl)dimethylphosphine oxide?

The Uses of (2-((2,5-Dichloropyrimidin-4-yl)amino)phenyl)dimethylphosphine oxide

(2-((2,5-Dichloropyrimidin-4-yl)amino)phenyl)dimethylphosphine oxide is an intermediate of AP26113 which is a kind of effective ALK inhibitor.

Synthesis

25 mL of a one-necked flask was added DMF (3 mL), 2,5,6-trichloro pyrimidine (0.72 g, 3.9 mmol) was added successively with stirring,2- (dimethylphosphonino) aniline (0.5 g, 3 mmol)Anhydrous potassium carbonate (0.62 g, 4.5 mmol), heated to 60 ° C and stirred for 4 h.(30 mL x 2), the organic phase was combined, washed with water (60 mL x 2), and the organic layer was dried over anhydrous sodium sulfate, and the organic layer was washed with ethyl acetate (30 mL) and water (30 mL) Filtered and concentrated, and the residue was passed through a silica gel column to give 0.8 g of a pale yellow solid (2-((2,5-Dichloropyrimidin-4-yl)amino)phenyl)dimethylphosphine oxide.

Properties of (2-((2,5-Dichloropyrimidin-4-yl)amino)phenyl)dimethylphosphine oxide

Boiling point:	527.5±50.0 °C(Predicted)
Density	1.41±0.1 g/cm3(Predicted)
storage temp.	under inert gas (nitrogen or Argon) at 2-8°C
pka	0.30±0.10(Predicted)
InChI	InChI=1S/C12H12Cl2N3OP/c1-19(2,18)10-6-4-3-5-9(10)16-11-8(13)7-15-12(14)17-11/h3-7H,1-2H3,(H,15,16,17)

Safety information for (2-((2,5-Dichloropyrimidin-4-yl)amino)phenyl)dimethylphosphine oxide

Signal word	Warning
Pictogram(s)	Exclamation Mark Irritant GHS07
GHS Hazard Statements	H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes	P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Computed Descriptors for (2-((2,5-Dichloropyrimidin-4-yl)amino)phenyl)dimethylphosphine oxide

InChIKey	XIKUAKVCJMVXCI-UHFFFAOYSA-N
SMILES	C1(Cl)=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1

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