Phenylmethyl 4-[[(1,1-dimethylethoxy)carbonyl]amino]-1-methyl-1H-imidazole-2-carboxylate

Base Information Edit

Chemical Name:Phenylmethyl 4-[[(1,1-dimethylethoxy)carbonyl]amino]-1-methyl-1H-imidazole-2-carboxylate
CAS No.:128293-65-2
Molecular Formula:C₁₇H₂₁N₃O₄
Molecular Weight:331.371
Hs Code.:
DSSTox Substance ID:DTXSID401123954
Mol file:128293-65-2.mol

Synonyms:DTXSID401123954;Phenylmethyl 4-[[(1,1-dimethylethoxy)carbonyl]amino]-1-methyl-1H-imidazole-2-carboxylate;128293-65-2

Suppliers and Price of Phenylmethyl 4-[[(1,1-dimethylethoxy)carbonyl]amino]-1-methyl-1H-imidazole-2-carboxylate

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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 Phenylmethyl 4-[[(1,1-dimethylethoxy)carbonyl]amino]-1-methyl-1H-imidazole-2-carboxylate Edit

Chemical Property:

XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:331.15320616
Heavy Atom Count:24
Complexity:444

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)(C)OC(=O)NC1=CN(C(=N1)C(=O)OCC2=CC=CC=C2)C

Technology Process of Phenylmethyl 4-[[(1,1-dimethylethoxy)carbonyl]amino]-1-methyl-1H-imidazole-2-carboxylate

There total 5 articles about Phenylmethyl 4-[[(1,1-dimethylethoxy)carbonyl]amino]-1-methyl-1H-imidazole-2-carboxylate 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: 95.0%

: 128293-64-1
4-[(tert-butoxycarbonyl)amino]-1-methylimidazole-2-carboxylic acid

: 100-39-0
benzyl bromide

: 128293-65-2
benzyl 4-((tert-butoxycarbonyl)amino)-1-methyl-1H-imidazole-2-carboxylate

Guidance literature:: 4-[(tert-butoxycarbonyl)amino]-1-methylimidazole-2-carboxylic acid; With caesium carbonate; In ethanol; at 20 ℃; for 0.333333h;

benzyl bromide; In N,N-dimethyl-formamide; for 13h;
DOI:10.1021/acs.orglett.9b04288

Reference yield:

: 30148-23-3
2-trichloroacetyl-1-methylimidazole

: 128293-65-2
benzyl 4-((tert-butoxycarbonyl)amino)-1-methyl-1H-imidazole-2-carboxylate

Guidance literature:: Multi-step reaction with 5 steps

1.1: acetic anhydride; nitric acid / 16.5 h / -40 - 20 °C

2.1: dmap / 72 h / 20 °C

3.1: palladium 10% on activated carbon; hydrogen / ethanol; ethyl acetate / 18 h / Darkness

4.1: N-ethyl-N,N-diisopropylamine / 20 h / 20 - 40 °C

4.2: 4 h / 0 - 20 °C / Darkness

5.1: caesium carbonate / ethanol / 0.33 h / 20 °C

5.2: 13 h

With dmap; palladium 10% on activated carbon; hydrogen; nitric acid; acetic anhydride; caesium carbonate; N-ethyl-N,N-diisopropylamine; In ethanol; ethyl acetate;
DOI:10.1021/acs.orglett.9b04288

Reference yield:

: 169770-25-6
1-methyl-4-nitro-1H-imidazole-2-carboxylic acid methyl ester

: 128293-65-2
benzyl 4-((tert-butoxycarbonyl)amino)-1-methyl-1H-imidazole-2-carboxylate

Guidance literature:: Multi-step reaction with 3 steps

1.1: palladium 10% on activated carbon; hydrogen / ethanol; ethyl acetate / 18 h / Darkness

2.1: N-ethyl-N,N-diisopropylamine / 20 h / 20 - 40 °C

2.2: 4 h / 0 - 20 °C / Darkness

3.1: caesium carbonate / ethanol / 0.33 h / 20 °C

3.2: 13 h

With palladium 10% on activated carbon; hydrogen; caesium carbonate; N-ethyl-N,N-diisopropylamine; In ethanol; ethyl acetate;
DOI:10.1021/acs.orglett.9b04288