4-(Octylamino)-N-[3-(trifluoromethyl)phenyl]-5-pyrimidinecarboxamide

Base Information

Chemical Name:4-(Octylamino)-N-[3-(trifluoromethyl)phenyl]-5-pyrimidinecarboxamide
CAS No.:102818-46-2
Molecular Formula:C₂₀H₂₅F₃N₄O
Molecular Weight:394.44
Hs Code.:
DSSTox Substance ID:DTXSID601159606

Synonyms:DTXSID601159606;4-(Octylamino)-N-[3-(trifluoromethyl)phenyl]-5-pyrimidinecarboxamide;102818-46-2

Suppliers and Price of 4-(Octylamino)-N-[3-(trifluoromethyl)phenyl]-5-pyrimidinecarboxamide

Supply Marketing:

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

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Chemical Property of 4-(Octylamino)-N-[3-(trifluoromethyl)phenyl]-5-pyrimidinecarboxamide

Chemical Property:

XLogP3:6.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:10
Exact Mass:394.19804592
Heavy Atom Count:28
Complexity:461

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCCCCCCCNC1=NC=NC=C1C(=O)NC2=CC=CC(=C2)C(F)(F)F

Technology Process of 4-(Octylamino)-N-[3-(trifluoromethyl)phenyl]-5-pyrimidinecarboxamide

There total 4 articles about 4-(Octylamino)-N-[3-(trifluoromethyl)phenyl]-5-pyrimidinecarboxamide 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: 58.0%

: 111-86-4
n-Octylamine

: 102818-41-7
4-Methylsulfanyl-pyrimidine-5-carboxylic acid (3-trifluoromethyl-phenyl)-amide

: 102818-46-2
4-Octylamino-pyrimidine-5-carboxylic acid (3-trifluoromethyl-phenyl)-amide

Guidance literature:: In ethanol; Heating;
DOI:10.1055/s-1985-31365

Reference yield:

: 1960-77-6
2-cyano-N-[3-(trifluoromethyl)phenyl]acetamide

: 102818-46-2
4-Octylamino-pyrimidine-5-carboxylic acid (3-trifluoromethyl-phenyl)-amide

Guidance literature:: Multi-step reaction with 4 steps

1: 65 percent / H₂S, (C₂H₅)3N / pyridine

2: 61 percent / NaOC₂H₅ / ethanol / 8 h / Heating

3: 1.) aq. NaOH

4: 58 percent / ethanol / Heating

With sodium hydroxide; hydrogen sulfide; sodium ethanolate; triethylamine; In pyridine; ethanol;
DOI:10.1055/s-1985-31365

Reference yield:

: 102817-89-0
2-Thiocarbamoyl-N-(3-trifluoromethyl-phenyl)-acetamide

: 102818-46-2
4-Octylamino-pyrimidine-5-carboxylic acid (3-trifluoromethyl-phenyl)-amide

Guidance literature:: Multi-step reaction with 3 steps

1: 61 percent / NaOC₂H₅ / ethanol / 8 h / Heating

2: 1.) aq. NaOH

3: 58 percent / ethanol / Heating

With sodium hydroxide; sodium ethanolate; In ethanol;
DOI:10.1055/s-1985-31365