Mutated EGFR-IN-1

Base Information

• Chemical Name: Mutated EGFR-IN-1
• CAS No.: 1421372-66-8
• Molecular Formula: C25H31N7O
• Molecular Weight: 445.567
• Mol file: 1421372-66-8.mol

Synonyms:Mutated EGFR-IN-1;HY-78869;AZD9291DA HCl salt;AZD9291 int-5;N1-[2-(Dimethylamino)ethyl]-5-methoxy-N1-methyl-N4-[4-(1-methyl-1H-indol-3-yl)-2-pyrimidinyl]-1,2,4-benzenetriamine;N1-[2-(diMethylaMino)ethyl]-5-Methoxy-N1-Methyl-N4-[4-(1-Methyl-1H-indol-3-yl)-2-pyriMidinyl]benzene-1,2,4-triamine;1,2,4-Benzenetriamine, N1-[2-(dimethylamino)ethyl]-5-methoxy-N1-methyl-N4-[4-(1-methyl-1H-indol-3-yl)-2-pyrimidinyl]-;AZD9291 intermediate 4

Chemical Property of Mutated EGFR-IN-1

Chemical Property:

• Boiling Point: 676.5±65.0 °C(Predicted)
• PKA: 9.07±0.28(Predicted)
• PSA: 84.47000
• Density: 1.21±0.1 g/cm3(Predicted)
• LogP: 4.62170

Purity/Quality:

99% ^*data from raw suppliers

N1-?[2-?(Dimethylamino)?ethyl]?-?5-?methoxy-?N1-?methyl-?N4-?[4-?(1-?methyl-?1H-?indol-?3-?yl)?-?2-?pyrimidinyl]?-?1,?2,?4-?benzenetriamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: N1-?[2-?(Dimethylamino)?ethyl]?-?5-?methoxy-?N1-?methyl-?N4-?[4-?(1-?methyl-?1H-?indol-?3-?yl)?-?2-?pyrimidinyl]?-?1,?2,?4-?benzenetriamine can be involved as reactant/reagent in "Schizophrenic" self-assembly of dual thermoresponsive block copolymers bearing a zwitterionic and a non-ionic hydrophilic block.

Technology Process of Mutated EGFR-IN-1

There total 27 articles about Mutated EGFR-IN-1 which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%

N1-(2-(dimethylamino)ethyl)-5-methoxy-N1-methyl-N4-(4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl)-2-nitrobenzene-1,4-diamine (1421372-67-9) → N?2?[[2?(dimethylamino)ethyl]methylamino]?4?methoxy?5?[[4?(1?methyl?1H?indole-3-yl)-2-pyrimidinyl]amino]aniline (1421372-66-8)

Guidance literature:

With hydrogen; In water; at 80 ℃; for 6h;

DOI:10.1007/s10562-019-02829-0

Reference yield: 90.2%

1-methylindole (603-76-9) + 2-(4-(N-(2-(dimethylamino)ethyl)-N-methylamino)-2-methoxy-5-aminophenylamino)-4-chloropyrimidine → N?2?[[2?(dimethylamino)ethyl]methylamino]?4?methoxy?5?[[4?(1?methyl?1H?indole-3-yl)-2-pyrimidinyl]amino]aniline (1421372-66-8)

Guidance literature:

With potassium hydride; In 1,2-dichloro-ethane; at 50 ℃; for 8h; Solvent; Reagent/catalyst; Temperature;

Reference yield:

N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(1-methyl-1H-indole-3-yl)-pyrimidine-2-amine (1421372-94-2) → N?2?[[2?(dimethylamino)ethyl]methylamino]?4?methoxy?5?[[4?(1?methyl?1H?indole-3-yl)-2-pyrimidinyl]amino]aniline (1421372-66-8)

Guidance literature:

Multi-step reaction with 2 steps

1: N-ethyl-N,N-diisopropylamine / N,N-dimethyl acetamide / 85 °C

2: iron; ammonium chloride / water; ethanol / 2 h / Reflux

With iron; ammonium chloride; N-ethyl-N,N-diisopropylamine; In ethanol; N,N-dimethyl acetamide; water;

upstream raw materials:

4-fluoro-2-methoxy-5-nitro-phenylamine

N¹-(2-(dimethylamino)ethyl)-5-methoxy-N¹-methyl-N⁴-(4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl)-2-nitrobenzene-1,4-diamine

N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(1-methyl-1H-indole-3-yl)-pyrimidine-2-amine

2-chloro-4-(1'-methyl-1H-indol-3-yl)pyrimidine

Downstream raw materials:

[N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)propen-2-amide]

N-(2-(N-(2-(dimethylamino)ethyl)-N-methylamino)-4-methoxy-5-((4-(1-methyl-1H-indole-3-yl)pyrimidine-2-yl)amino)phenyl)acrylamide methanesulfonate

3-chloro-N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)propanamide

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