2-iso-Propylamino-4-[4-fluoro-phenylethynyl]pyrimidine

Base Information

Chemical Name:2-iso-Propylamino-4-[4-fluoro-phenylethynyl]pyrimidine
CAS No.:876521-35-6
Molecular Formula:C15H14FN3
Molecular Weight:255.295
Hs Code.:
DSSTox Substance ID:DTXSID10479006
Nikkaji Number:J2.276.442J
Wikidata:Q82312831

Synonyms:876521-35-6;2-iso-Propylamino-4-[4-fluoro-phenylethynyl]pyrimidine;SCHEMBL708817;DTXSID10479006;HFHCFXVZJMUUIF-UHFFFAOYSA-N;FT-0754603

Suppliers and Price of 2-iso-Propylamino-4-[4-fluoro-phenylethynyl]pyrimidine

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 2-iso-Propylamino-4-[4-fluoro-phenylethynyl]pyrimidine

Chemical Property:

XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:255.11717562
Heavy Atom Count:19
Complexity:336

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)NC1=NC=CC(=N1)C#CC2=CC=C(C=C2)F

Technology Process of 2-iso-Propylamino-4-[4-fluoro-phenylethynyl]pyrimidine

There total 3 articles about 2-iso-Propylamino-4-[4-fluoro-phenylethynyl]pyrimidine 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: 84.0%

: 876521-34-5
2-iso-propylamino-4-ethynylpyrimidine

: 352-34-1
4-fluoro-1-iodobenzene

: 876521-35-6
2-iso-propylamino-4-[(4-fluorophenyl)ethynyl]pyrimidine

Guidance literature:: With triethylamine; bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; In tetrahydrofuran; at 20 ℃; for 2.5h; Product distribution / selectivity;

Reference yield:

: 876521-30-1
2-iso-propylamino-4-(trimethylsilylethynyl)pyrimidine

: 876521-35-6
2-iso-propylamino-4-[(4-fluorophenyl)ethynyl]pyrimidine

Guidance literature:: Multi-step reaction with 2 steps

1: KOH / methanol / 20 °C

2: triethylamine; CuI / Pd(PPh₃)2Cl₂ / tetrahydrofuran / 2.5 h / 20 °C

With potassium hydroxide; copper(l) iodide; triethylamine; bis-triphenylphosphine-palladium(II) chloride; In tetrahydrofuran; methanol; 2: Sonogashira cross-coupling;
DOI:10.1021/ol052663x

Reference yield:

: 37972-23-9
2-chloro-4-((trimethylsilyl)ethynyl)pyrimidine

: 876521-35-6
2-iso-propylamino-4-[(4-fluorophenyl)ethynyl]pyrimidine

Guidance literature:: Multi-step reaction with 3 steps

1: Heating

2: KOH / methanol / 20 °C

3: triethylamine; CuI / Pd(PPh₃)2Cl₂ / tetrahydrofuran / 2.5 h / 20 °C

With potassium hydroxide; copper(l) iodide; triethylamine; bis-triphenylphosphine-palladium(II) chloride; In tetrahydrofuran; methanol; 3: Sonogashira cross-coupling;
DOI:10.1021/ol052663x