N-[1-(4-Fluorophenyl)-2,4-dioxo-3-methyl-6-(dimethylamino)-1,2,3,4-tetrahydropyrimidine-5-yl]-3,5-di-tert-butyl-4-hydroxybenzamide

Base Information

Chemical Name:N-[1-(4-Fluorophenyl)-2,4-dioxo-3-methyl-6-(dimethylamino)-1,2,3,4-tetrahydropyrimidine-5-yl]-3,5-di-tert-butyl-4-hydroxybenzamide
CAS No.:595558-89-7
Molecular Formula:C28H35FN4O4
Molecular Weight:510.6
Hs Code.:
DSSTox Substance ID:DTXSID60454101
Nikkaji Number:J1.868.271K
Mol file:595558-89-7.mol

Synonyms:CTK5B0120;DTXSID60454101;3,5-Di-tert-butyl-N-(6-(dimethylamino)-1-(4-fluorophenyl)-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-4-hydroxybenzamide;N-[1-(4-Fluorophenyl)-2,4-dioxo-3-methyl-6-(dimethylamino)-1,2,3,4-tetrahydropyrimidine-5-yl]-3,5-di-tert-butyl-4-hydroxybenzamide

Suppliers and Price of N-[1-(4-Fluorophenyl)-2,4-dioxo-3-methyl-6-(dimethylamino)-1,2,3,4-tetrahydropyrimidine-5-yl]-3,5-di-tert-butyl-4-hydroxybenzamide

Supply Marketing:

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

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Chemical Property of N-[1-(4-Fluorophenyl)-2,4-dioxo-3-methyl-6-(dimethylamino)-1,2,3,4-tetrahydropyrimidine-5-yl]-3,5-di-tert-butyl-4-hydroxybenzamide

Chemical Property:

PSA：100.06000
LogP:4.67820
XLogP3:5.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:510.26423377
Heavy Atom Count:37
Complexity:903

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=C(C=C3)F)N(C)C

Technology Process of N-[1-(4-Fluorophenyl)-2,4-dioxo-3-methyl-6-(dimethylamino)-1,2,3,4-tetrahydropyrimidine-5-yl]-3,5-di-tert-butyl-4-hydroxybenzamide

There total 5 articles about N-[1-(4-Fluorophenyl)-2,4-dioxo-3-methyl-6-(dimethylamino)-1,2,3,4-tetrahydropyrimidine-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:

: 301206-17-7
6-chloro-1-(4-fluorophenyl)-3-methyluracil

: 595558-89-7
5-(3,5-di-tert-butyl-4-hydroxyphenylcarboxamido)-6-dimethylamino-1-(4-fluorophenyl)-3-methyl-2,4-(1H,3H)-pyrimidinedione

Guidance literature:: Multi-step reaction with 4 steps

1.1: 89 percent / propan-2-ol; H₂O / 8 h / Heating

2.1: 87 percent / H₂SO₄; NaNO₃ / 1 h / 0 °C

3.1: H₂ / 5 percent Pd/C / methanol / 12 h

4.1: HOBt / dimethylformamide / 1 h / 20 °C

4.2: 38 mg / EDC*HCl / dimethylformamide / 12 h

With sodium nitrate; sulfuric acid; hydrogen; benzotriazol-1-ol; palladium on activated charcoal; In methanol; water; N,N-dimethyl-formamide; isopropyl alcohol;
DOI:10.1248/cpb.51.309

Reference yield:

: 176379-63-8
6-dimethylamino-1-(4-fluorophenyl)-3-methyl-2,4-(1H,3H)-pyrimidinedione

: 595558-89-7
5-(3,5-di-tert-butyl-4-hydroxyphenylcarboxamido)-6-dimethylamino-1-(4-fluorophenyl)-3-methyl-2,4-(1H,3H)-pyrimidinedione

Guidance literature:: Multi-step reaction with 3 steps

1.1: 87 percent / H₂SO₄; NaNO₃ / 1 h / 0 °C

2.1: H₂ / 5 percent Pd/C / methanol / 12 h

3.1: HOBt / dimethylformamide / 1 h / 20 °C

3.2: 38 mg / EDC*HCl / dimethylformamide / 12 h

With sodium nitrate; sulfuric acid; hydrogen; benzotriazol-1-ol; palladium on activated charcoal; In methanol; N,N-dimethyl-formamide;
DOI:10.1248/cpb.51.309

Reference yield:

: 301206-18-8
6-dimethylamino-1-(4-fluoro-phenyl)-3-methyl-5-nitro-1H-pyrimidine-2,4-dione

: 595558-89-7
5-(3,5-di-tert-butyl-4-hydroxyphenylcarboxamido)-6-dimethylamino-1-(4-fluorophenyl)-3-methyl-2,4-(1H,3H)-pyrimidinedione

Guidance literature:: Multi-step reaction with 2 steps

1.1: H₂ / 5 percent Pd/C / methanol / 12 h

2.1: HOBt / dimethylformamide / 1 h / 20 °C

2.2: 38 mg / EDC*HCl / dimethylformamide / 12 h

With hydrogen; benzotriazol-1-ol; palladium on activated charcoal; In methanol; N,N-dimethyl-formamide;
DOI:10.1248/cpb.51.309