2-(2-Aminopropan-2-yl)-4-((4-fluorobenzyl)carbamoyl)-1-methyl-6-oxo-1,6-dihydropyrimidin-5-yl 2,2-dimethylpropanoate

Base Information

Chemical Name:2-(2-Aminopropan-2-yl)-4-((4-fluorobenzyl)carbamoyl)-1-methyl-6-oxo-1,6-dihydropyrimidin-5-yl 2,2-dimethylpropanoate
CAS No.:1172131-64-4
Molecular Formula:C₂₁H₂₇FN₄O₄
Molecular Weight:418.468
Hs Code.:
European Community (EC) Number:620-134-9
DSSTox Substance ID:DTXSID501009959
Wikidata:Q83006147
Mol file:1172131-64-4.mol

Synonyms:1172131-64-4;EC 620-134-9;Propanoic acid, 2,2-dimethyl-, 2-(1-amino-1-methylethyl)-4-[[[(4-fluorophenyl)methyl]amino]carbonyl]-1,6-dihydro-1-methyl-6-oxo-5-pyrimidinyl ester;2-(2-Aminopropan-2-yl)-4-((4-fluorobenzyl)carbamoyl)-1-methyl-6-oxo-1,6-dihydropyrimidin-5-yl 2,2-dimethylpropanoate;SCHEMBL3733388;DTXSID501009959;[2-(2-aminopropan-2-yl)-4-[(4-fluorophenyl)methylcarbamoyl]-1-methyl-6-oxopyrimidin-5-yl] 2,2-dimethylpropanoate;2-(2-Amino-2-propanyl)-4-[(4-fluorobenzyl)carbamoyl]-1-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl pivalate

Suppliers and Price of 2-(2-Aminopropan-2-yl)-4-((4-fluorobenzyl)carbamoyl)-1-methyl-6-oxo-1,6-dihydropyrimidin-5-yl 2,2-dimethylpropanoate

Supply Marketing:

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

Manufacturers and distributors:

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Total 30 raw suppliers

Chemical Property of 2-(2-Aminopropan-2-yl)-4-((4-fluorobenzyl)carbamoyl)-1-methyl-6-oxo-1,6-dihydropyrimidin-5-yl 2,2-dimethylpropanoate

Chemical Property:

XLogP3:1.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:418.20163352
Heavy Atom Count:30
Complexity:774

Purity/Quality:: 99%, ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)C(=O)OC1=C(N=C(N(C1=O)C)C(C)(C)N)C(=O)NCC2=CC=C(C=C2)F

Technology Process of 2-(2-Aminopropan-2-yl)-4-((4-fluorobenzyl)carbamoyl)-1-methyl-6-oxo-1,6-dihydropyrimidin-5-yl 2,2-dimethylpropanoate

There total 9 articles about 2-(2-Aminopropan-2-yl)-4-((4-fluorobenzyl)carbamoyl)-1-methyl-6-oxo-1,6-dihydropyrimidin-5-yl 2,2-dimethylpropanoate 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: 90.0%

: 518048-02-7
{1-[4-(4-fluoro-benzylcarbamoyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydro-pyrimidin-2-yl]-1-methyl-ethyl}carbamic acid benzyl ester

: 3282-30-2
pivaloyl chloride

: 1172131-64-4
2,2-dimethyl-propionic acid 2-(1-amino-1-methyl-ethyl)-4-(4-fluorobenzylcarbamoyl)-1-methyl-6-oxo-1,6-dihydropyrimidin-5-yl ester

Guidance literature:: {1-[4-(4-fluoro-benzylcarbamoyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydro-pyrimidin-2-yl]-1-methyl-ethyl}carbamic acid benzyl ester; pivaloyl chloride; With dmap; potassium carbonate; In water; ethyl acetate; at 20 ℃;

With formic acid; potassium formate; 5%-palladium/activated carbon; In ethyl acetate; at 25 - 50 ℃;

With potassium carbonate; In ethanol; water; at 20 ℃; for 2h;

Reference yield:

: 1172131-65-5
C₂₉H₃₃FN₄O₆

: 1172131-64-4
2,2-dimethyl-propionic acid 2-(1-amino-1-methyl-ethyl)-4-(4-fluorobenzylcarbamoyl)-1-methyl-6-oxo-1,6-dihydropyrimidin-5-yl ester

Guidance literature:: With glycolic Acid; hydrogen; palladium on activated charcoal; In methanol; at 25 ℃; for 4h; under 1018.63 Torr;

Reference yield:

: methyl 2-(2(((benzyloxy)carbonyl)amino)propan-2-yl)-5,6-dihydroxy-1,6-dihydropyrimidine-4-carboxylate

: 1172131-64-4
2,2-dimethyl-propionic acid 2-(1-amino-1-methyl-ethyl)-4-(4-fluorobenzylcarbamoyl)-1-methyl-6-oxo-1,6-dihydropyrimidin-5-yl ester

Guidance literature:: Multi-step reaction with 4 steps

1.1: lithium tert-butoxide / N,N-dimethyl-formamide / 80 °C

2.1: ethanol / 4.25 h / 0 - 72 °C / Large scale reaction

3.1: dmap; triethylamine / ethyl acetate / 10 - 15 °C

4.1: 5%-palladium/activated carbon; glycolic Acid; hydrogen / methanol; ethyl acetate / 20 °C / 258.58 Torr

4.2: 20 °C / pH 9

With dmap; glycolic Acid; 5%-palladium/activated carbon; hydrogen; triethylamine; lithium tert-butoxide; In methanol; ethanol; ethyl acetate; N,N-dimethyl-formamide;
DOI:10.1021/op100257r