N-(6-Amino-3-methyl-1-(naphthalen-1-yl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3,5-di-tert-butyl-4-hydroxybenzamide

Base Information

Chemical Name:N-(6-Amino-3-methyl-1-(naphthalen-1-yl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3,5-di-tert-butyl-4-hydroxybenzamide
CAS No.:595558-82-0
Molecular Formula:C30H34N4O4
Molecular Weight:514.62
Hs Code.:
DSSTox Substance ID:DTXSID10453260
Nikkaji Number:J1.868.268K
Wikidata:Q82274368
Mol file:595558-82-0.mol

Synonyms:595558-82-0;N-(6-Amino-3-methyl-1-(naphthalen-1-yl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3,5-di-tert-butyl-4-hydroxybenzamide;CTK5B0118;N-[6-amino-3-methyl-1-(naphthalen-1-yl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl]-3,5-di-tert-butyl-4-hydroxybenzamide;DTXSID10453260;N-[1-(1-Naphthyl)-2,4-dioxo-3-methyl-6-amino-1,2,3,4-tetrahydropyrimidine-5-yl]-3,5-di-tert-butyl-4-hydroxybenzamide

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Supply Marketing:

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

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Chemical Property of N-(6-Amino-3-methyl-1-(naphthalen-1-yl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3,5-di-tert-butyl-4-hydroxybenzamide

Chemical Property:

PSA：122.84000
LogP:5.78970
XLogP3:5.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:514.25800558
Heavy Atom Count:38
Complexity:954

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)NC2=C(N(C(=O)N(C2=O)C)C3=CC=CC4=CC=CC=C43)N

Technology Process of N-(6-Amino-3-methyl-1-(naphthalen-1-yl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3,5-di-tert-butyl-4-hydroxybenzamide

There total 3 articles about N-(6-Amino-3-methyl-1-(naphthalen-1-yl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3,5-di-tert-butyl-4-hydroxybenzamide 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: 53.0%

: 1421-49-4
3,5-Di-tert-butyl-4-hydroxybenzoic acid

: 176379-71-8
5,6-diamino-3-methyl-1-(1-naphthyl)uracil

: 595558-82-0
6-amino-5-(3,5-di-tert-butyl-4-hydroxyphenylcarboxamido)-3-methyl-1-(1-naphthyl)-2,4-(1H,3H)-pyrimidinedione

Guidance literature:: With triethylamine; Diphenylphosphinic chloride; In ethyl acetate; at 20 ℃;
DOI:10.1248/cpb.51.309

Reference yield:

: 176379-70-7
6-amino-3-methyl-1-(1-naphthyl)uracil

: 595558-82-0
6-amino-5-(3,5-di-tert-butyl-4-hydroxyphenylcarboxamido)-3-methyl-1-(1-naphthyl)-2,4-(1H,3H)-pyrimidinedione

Guidance literature:: Multi-step reaction with 3 steps

1: NaNO₂; aq. HCl / 20 °C

2: H₂ / 5 percent Pd/C / methanol

3: 53 percent / Et₃N; diphenylphosphoryl chloride / ethyl acetate / 20 °C

With hydrogenchloride; hydrogen; triethylamine; sodium nitrite; Diphenylphosphinic chloride; palladium on activated charcoal; In methanol; ethyl acetate;
DOI:10.1248/cpb.51.309

Reference yield:

: 830339-79-2
6-amino-3-methyl-1-naphthalen-1-yl-5-nitro-1H-pyrimidine-2,4-dione

: 595558-82-0
6-amino-5-(3,5-di-tert-butyl-4-hydroxyphenylcarboxamido)-3-methyl-1-(1-naphthyl)-2,4-(1H,3H)-pyrimidinedione

Guidance literature:: Multi-step reaction with 2 steps

1: H₂ / 5 percent Pd/C / methanol

2: 53 percent / Et₃N; diphenylphosphoryl chloride / ethyl acetate / 20 °C

With hydrogen; triethylamine; Diphenylphosphinic chloride; palladium on activated charcoal; In methanol; ethyl acetate;
DOI:10.1248/cpb.51.309