2-{4-[4-(2,4-diamino-6-oxo-1,6-dihydro-pyrimidin-5-ylsulfanylmethyl)-imidazol-1-ylmethyl]-benzoylamino}-pentanedioic acid di-tert-butyl ester

Base Information

Chemical Name:2-{4-[4-(2,4-diamino-6-oxo-1,6-dihydro-pyrimidin-5-ylsulfanylmethyl)-imidazol-1-ylmethyl]-benzoylamino}-pentanedioic acid di-tert-butyl ester
CAS No.:289677-62-9
Molecular Formula:C₂₉H₃₉N₇O₆S
Molecular Weight:613.738
Hs Code.:

2-{4-[4-(2,4-diamino-6-oxo-1,6-dihydro-pyrimidin-5-ylsulfanylmethyl)-imidazol-1-ylmethyl]-benzoylamino}-pentanedioic acid di-<i>tert</i>-butyl ester

Synonyms:2-{4-[4-(2,4-diamino-6-oxo-1,6-dihydro-pyrimidin-5-ylsulfanylmethyl)-imidazol-1-ylmethyl]-benzoylamino}-pentanedioic acid di-tert-butyl ester

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Chemical Property of 2-{4-[4-(2,4-diamino-6-oxo-1,6-dihydro-pyrimidin-5-ylsulfanylmethyl)-imidazol-1-ylmethyl]-benzoylamino}-pentanedioic acid di-tert-butyl ester

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Technology Process of 2-{4-[4-(2,4-diamino-6-oxo-1,6-dihydro-pyrimidin-5-ylsulfanylmethyl)-imidazol-1-ylmethyl]-benzoylamino}-pentanedioic acid di-tert-butyl ester

There total 6 articles about 2-{4-[4-(2,4-diamino-6-oxo-1,6-dihydro-pyrimidin-5-ylsulfanylmethyl)-imidazol-1-ylmethyl]-benzoylamino}-pentanedioic acid di-tert-butyl ester 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: 62.0%

: 32677-01-3
L-glutamic acid di-tert-butyl ester hydrochloride

: 289677-61-8
4-[4-(2,4-diamino-6-oxo-1,6-dihydro-pyrimidin-5-ylsulfanylmethyl)-imidazol-1-ylmethyl]-benzoic acid

: 289677-62-9
2-{4-[4-(2,4-diamino-6-oxo-1,6-dihydro-pyrimidin-5-ylsulfanylmethyl)-imidazol-1-ylmethyl]-benzoylamino}-pentanedioic acid di-tert-butyl ester

Guidance literature:: With sodium hydrogencarbonate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide; at 25 ℃; for 12h;
DOI:10.1016/S0968-0896(00)00051-1

Reference yield:

: 2417-72-3
Methyl 4-(bromomethyl)benzoate

: 289677-62-9
2-{4-[4-(2,4-diamino-6-oxo-1,6-dihydro-pyrimidin-5-ylsulfanylmethyl)-imidazol-1-ylmethyl]-benzoylamino}-pentanedioic acid di-tert-butyl ester

Guidance literature:: Multi-step reaction with 7 steps

1: 49 percent / K₂CO₃ / dimethylformamide / 3 h / 100 °C

2: 89 percent / thionyl chloride / CH₂Cl₂ / 3 h / 40 °C

3: 74 percent / acetone / 0.5 h / Heating

4: 56 percent / aq. HCl / ethanol / 2 h / 40 °C

5: 81 percent / dimethylformamide / 2 h / 80 °C

6: 74 percent / LiOH; H₂O / methanol / 5 h / 60 °C

7: 62 percent / NaHCO₃; EDCI / dimethylformamide / 12 h / 25 °C

With hydrogenchloride; lithium hydroxide; thionyl chloride; water; sodium hydrogencarbonate; potassium carbonate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In methanol; ethanol; dichloromethane; N,N-dimethyl-formamide; acetone; 1: Alkylation / 2: Chlorination / 3: Substitution / 4: Hydrolysis / 5: Substitution / 6: Hydrolysis / 7: Acylation;
DOI:10.1016/S0968-0896(00)00051-1

Reference yield:

: 289677-29-8
methyl 4-[(4-chloromethyl-1H-imidazol-1-yl)methyl]benzoate

: 289677-62-9
2-{4-[4-(2,4-diamino-6-oxo-1,6-dihydro-pyrimidin-5-ylsulfanylmethyl)-imidazol-1-ylmethyl]-benzoylamino}-pentanedioic acid di-tert-butyl ester

Guidance literature:: Multi-step reaction with 5 steps

1: 74 percent / acetone / 0.5 h / Heating

2: 56 percent / aq. HCl / ethanol / 2 h / 40 °C

3: 81 percent / dimethylformamide / 2 h / 80 °C

4: 74 percent / LiOH; H₂O / methanol / 5 h / 60 °C

5: 62 percent / NaHCO₃; EDCI / dimethylformamide / 12 h / 25 °C

With hydrogenchloride; lithium hydroxide; water; sodium hydrogencarbonate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In methanol; ethanol; N,N-dimethyl-formamide; acetone; 1: Substitution / 2: Hydrolysis / 3: Substitution / 4: Hydrolysis / 5: Acylation;
DOI:10.1016/S0968-0896(00)00051-1