5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyriMidin-4-ylaMine

Base Information

• Chemical Name: 5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyriMidin-4-ylaMine
• CAS No.: 330786-24-8
• Molecular Formula: C17H13N5O
• Molecular Weight: 303.323
• Mol file: 330786-24-8.mol

Synonyms:5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyriMidin-4-ylaMine;3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyriMidin-4-aMine;4-aMino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyriMidine;5-(4-Phenoxyphenyl)-7H-pyrrolo[2,3-d]pyriMidin-4-aMine;ibrutinib N-2;1H-Pyrazolo[3,4-d]pyriMidin-4-aMine, 3-(4-phenoxyphenyl)-;Ibrutinib intermeidate N-2;Ibrutinib INT1

Chemical Property of 5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyriMidin-4-ylaMine

Chemical Property:

• Boiling Point: 577.4±50.0 °C(Predicted)
• PKA: 10.40±0.30(Predicted)
• PSA: 89.71000
• Density: 1.380±0.06 g/cm3(Predicted)
• LogP: 3.97560
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: DMSO (Slightly), Ethanol (Slightly)

Purity/Quality:

99% ^*data from raw suppliers

3-(4-Phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: As Ibrutinib intermediates, 5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyriMidin-4-ylaMine can be used as organic synthesis intermediates and pharmaceutical intermediates, mainly used in laboratory research and development and chemical production processes. 3-(4-Phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine is a useful synthetic intermediate in the synthesis of Ibrutinib (I124970); a highly selective Bruton’s tyrosine kinase (BTK) irreversible inhibitor.

Technology Process of 5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyriMidin-4-ylaMine

There total 43 articles about 5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyriMidin-4-ylaMine 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: 90.0%

3-amino-5-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile + formamide (77287-34-4,77287-35-5,60100-09-6) → 3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine (330786-24-8)

Guidance literature:

at 150 ℃; for 8h;

Reference yield: 89.2%

C17H11ClN4O → 3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine (330786-24-8)

Guidance literature:

With ammonia; In methanol; for 12h; Reflux;

Reference yield: 88.5%

5-amino-3-(4-phenoxy)phenyl-4-cyano-2,3-dihydropyrazole + formamide (77287-34-4,77287-35-5,60100-09-6) → 3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine (330786-24-8)

Guidance literature:

5-amino-3-(4-phenoxy)phenyl-4-cyano-2,3-dihydropyrazole; formamide; With formic acid; at 115 - 120 ℃; for 4h;

With dihydrogen peroxide; at 45 - 50 ℃; for 3h; Temperature;

upstream raw materials:

1-tert-butyl-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

formamide

4-phenoxyphenylboronic acid

4-amino-3-iodo-1H-pyrazolo[3,4-d]pyrimidine

Downstream raw materials:

tert-butyl 3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate

C₂₁H₂₂N₆O

C₂₇H₂₅N₇O₂

C₂₁H₂₀N₆O₃