Tert-butyl 5-(methoxy(methyl)amino)-5-oxopentanoate

Base Information

• Chemical Name: Tert-butyl 5-(methoxy(methyl)amino)-5-oxopentanoate
• CAS No.: 192123-40-3
• Molecular Formula: C11H21NO4
• Molecular Weight: 231.29
• DSSTox Substance ID: DTXSID10440776
• Wikidata: Q82257177
• Mol file: 192123-40-3.mol

Synonyms:tert-butyl 5-(methoxy(methyl)amino)-5-oxopentanoate;192123-40-3;tert-butyl 5-[methoxy(methyl)amino]-5-oxopentanoate;5-[methoxy(methyl)amino]-5-oxopentanoic acid tert-butyl ester;SCHEMBL13109077;DTXSID10440776;AKOS015852412;FT-0656913;I11762;A813542;A1-06663;tert-butyl5-(methoxy(methyl)amino)-5-oxopentanoate;TERT-BUTYL 4-[METHOXY(METHYL)CARBAMOYL]BUTANOATE;tert-butyl 5-[methoxy(methyl)amino]-5-oxidanylidene-pentanoate

Chemical Property of Tert-butyl 5-(methoxy(methyl)amino)-5-oxopentanoate

Chemical Property:

• PSA: 55.84000
• LogP: 1.51820
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 231.14705815
• Heavy Atom Count: 16
• Complexity: 245

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl 5-(methoxy(methyl)amino)-5-oxopentanoate 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)CCCC(=O)N(C)OC

Technology Process of Tert-butyl 5-(methoxy(methyl)amino)-5-oxopentanoate

There total 2 articles about Tert-butyl 5-(methoxy(methyl)amino)-5-oxopentanoate 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%

5-(tert-butoxy)-5-oxopentanoic acid (63128-51-8) + N,O-dimethylhydroxylamine*hydrochloride (6638-79-5) → 4-(Methoxy-methyl-carbamoyl)-butyric acid tert-butyl ester (192123-40-3)

Guidance literature:

With 1-hydroxybenzotriazol-hydrate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃; for 2h;

DOI:10.1021/ja070063i

Reference yield:

glutaric anhydride, (108-55-4) → 4-(Methoxy-methyl-carbamoyl)-butyric acid tert-butyl ester (192123-40-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 27 percent / N-hydroxysuccinimide; 4-dimethylaminopyridine; triethylamine / toluene / 16 h / 115 °C

2: 95 percent / 1-hydroxybenzotriazole hydrate; diisopropylethylamine; EDC*HCl / CH₂Cl₂ / 2 h / 20 °C

With dmap; 1-hydroxy-pyrrolidine-2,5-dione; 1-hydroxybenzotriazol-hydrate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; N-ethyl-N,N-diisopropylamine; In dichloromethane; toluene;

DOI:10.1021/ja070063i

Reference yield:

4-(Methoxy-methyl-carbamoyl)-butyric acid tert-butyl ester (192123-40-3) → (S)-β-tert-butoxycarboxyethyl-γ-(S)-N-benzyl-α-methylbenzyl amino-propylalcohol (941292-97-3)

Guidance literature:

Multi-step reaction with 3 steps

1: 59 percent / diisobutylaluminum hydride / tetrahydrofuran; CH₂Cl₂ / 0.5 h / 0 °C

2: L-proline / dimethylformamide / 2 h / -25 °C

3: 207 mg / NaBH₄ / methanol; dimethylformamide / 0.33 h / 0 °C

With sodium tetrahydroborate; diisobutylaluminium hydride; L-proline; In tetrahydrofuran; methanol; dichloromethane; N,N-dimethyl-formamide; 2: Mannich reaction;

DOI:10.1021/ja070063i

upstream raw materials:

5-(tert-butoxy)-5-oxopentanoic acid

N,O-dimethylhydroxylamine*hydrochloride

glutaric anhydride,

Downstream raw materials:

(S)-β-tert-butoxycarboxyethyl-γ-(S)-N-benzyl-α-methylbenzyl amino-propylalcohol

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