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

(2-((2,5-Dichloropyrimidin-4-yl)amino)phenyl)dimethylphosphine oxide Structure
CAS No.
1197953-49-3
Chemical Name:
(2-((2,5-Dichloropyrimidin-4-yl)amino)phenyl)dimethylphosphine oxide
Synonyms
(2-((2,5-dichloropyrimidin-4-yl)amino)phenyl)dimethylphosphine oxide;AP26113 intermediates 1;4-(orthodimethylphosphinylanilino)-5-chloro-2-chloropyrimidine;2,5-dichloro-N-(2-(diMethylphosphoryl)phenyl)pyriMidin-4-aMine;2,5-Dichloro-N-[2-(dimethylphosphinyl)phenyl]-4-pyrimidinamine;2,5-dichloro-N-(2-(dimethylphosphoryl)phenyl)pyrimidin-4-ami...;4-Pyrimidinamine, 2,5-dichloro-N-[2-(dimethylphosphinyl)phenyl]-;2-[(2,5-Dichloro-4-pyrimidinyl)amino]phenyl]dimethylphosphine Oxide;2,5- Dichloro -N-[2- (dimethylphosphino) phenyl ]-4- pyrimidinamine *
CBNumber:
CB32677388
Molecular Formula:
C12H12Cl2N3OP
Molecular Weight:
316.12
MOL File:
1197953-49-3.mol
MSDS File:
SDS
Modify Date:
2024/4/9 22:15:29

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

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

SAFETY

Risk and Safety Statements

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P305+P351+P338

(2-((2,5-Dichloropyrimidin-4-yl)amino)phenyl)dimethylphosphine oxide Chemical Properties,Uses,Production

Uses

(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.

(2-((2,5-Dichloropyrimidin-4-yl)amino)phenyl)dimethylphosphine oxide Preparation Products And Raw materials

Raw materials

Preparation Products

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2,5-dichloro-N-(2-(diMethylphosphoryl)phenyl)pyriMidin-4-aMine 4-(orthodimethylphosphinylanilino)-5-chloro-2-chloropyrimidine 2-[(2,5-Dichloro-4-pyrimidinyl)amino]phenyl]dimethylphosphine Oxide 2,5-Dichloro-N-[2-(dimethylphosphinyl)phenyl]-4-pyrimidinamine 4-Pyrimidinamine, 2,5-dichloro-N-[2-(dimethylphosphinyl)phenyl]- 2,5-dichloro-N-(2-(dimethylphosphoryl)phenyl)pyrimidin-4-ami... (2-((2,5-dichloropyrimidin-4-yl)amino)phenyl)dimethylphosphine oxide 2,5- Dichloro -N-[2- (dimethylphosphino) phenyl ]-4- pyrimidinamine * AP26113 intermediates 1 1197953-49-3 197953-49-3 761140-75-9 C12H12Cl2N3OP 1197953-49-3