N-(6-Amino-2,4-dioxo-1,3-dipropyl-1,2,3,4-tetrahydropyrimidin-5-yl)-3,5-dichloro-2-(2,2,2-trifluoroacetamido)benzamide

Base Information

Chemical Name:N-(6-Amino-2,4-dioxo-1,3-dipropyl-1,2,3,4-tetrahydropyrimidin-5-yl)-3,5-dichloro-2-(2,2,2-trifluoroacetamido)benzamide
CAS No.:154623-75-3
Molecular Formula:C₁₉H₂₀Cl₂F₃N₅O₄
Molecular Weight:510.3
Hs Code.:
DSSTox Substance ID:DTXSID30566068
Wikidata:Q82451510
Mol file:154623-75-3.mol

Synonyms:154623-75-3;N-(6-Amino-2,4-dioxo-1,3-dipropyl-1,2,3,4-tetrahydropyrimidin-5-yl)-3,5-dichloro-2-(2,2,2-trifluoroacetamido)benzamide;N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)-3,5-dichloro-2-[(2,2,2-trifluoroacetyl)amino]benzamide;DTXSID30566068

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

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Chemical Property of N-(6-Amino-2,4-dioxo-1,3-dipropyl-1,2,3,4-tetrahydropyrimidin-5-yl)-3,5-dichloro-2-(2,2,2-trifluoroacetamido)benzamide

Chemical Property:

PSA：135.20000
LogP:5.08680
XLogP3:3.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:509.0844440
Heavy Atom Count:33
Complexity:839

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCN1C(=C(C(=O)N(C1=O)CCC)NC(=O)C2=C(C(=CC(=C2)Cl)Cl)NC(=O)C(F)(F)F)N

Technology Process of N-(6-Amino-2,4-dioxo-1,3-dipropyl-1,2,3,4-tetrahydropyrimidin-5-yl)-3,5-dichloro-2-(2,2,2-trifluoroacetamido)benzamide

There total 2 articles about N-(6-Amino-2,4-dioxo-1,3-dipropyl-1,2,3,4-tetrahydropyrimidin-5-yl)-3,5-dichloro-2-(2,2,2-trifluoroacetamido)benzamide 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: 51.0%

: 81250-34-2
1,3-dipropyl-5,6-diaminouracil

: 154623-74-2
3,5-dichloro-2-(trifluoroacetylamino)benzoic trifluoroacetic anhydride

: 154623-75-3
6-amino-5-<3,5-dichloro-2-(trifluoroacetylamino)benzamido>-1,3-dipropyluracil

Guidance literature:: With diisopropyl-carbodiimide; for 2h; Ambient temperature;

Reference yield:

: 2789-92-6
3,5-dichloroantranilic acid

: 154623-75-3
6-amino-5-<3,5-dichloro-2-(trifluoroacetylamino)benzamido>-1,3-dipropyluracil

Guidance literature:: Multi-step reaction with 2 steps

1: 67 percent / CH₂Cl₂ / 4 h / Ambient temperature

2: 51 percent / diisopropyl carbodiimide / 2 h / Ambient temperature

With diisopropyl-carbodiimide; In dichloromethane;